56456-50-9

2-氯-6-氟苄醇(56456-50-9)质谱(MS)

产品名称:2-氯-6-氟苄醇

CAS:56456-50-9

分子式:C7H6ClFO

分子量: 160.57

InChI:InChI=1S/C7H6ClFO/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2

InChIKey: ZZFCUESFXBCRSC-UHFFFAOYSA-N

Smiles:C1(CO)=C(F)C=CC=C1Cl

Mass

MS-NW-7269          
2-chloro-6-fluorobenzyl alcohol
C7H6ClFO            (Mass of molecular ion:    160)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.5
      26.0       1.5
      27.0       3.2
      28.0       6.7
      29.0      15.7
      30.0       2.8
      31.0      17.7
      32.0       1.2
      36.0       2.1
      37.0       6.3
      38.0       8.0
      39.0       7.7
      43.0       2.0
      44.0       2.0
      45.0       1.4
      47.0       2.1
      48.0       2.2
      49.0       4.0
      50.0      20.5
      51.0      19.9
      52.0       9.1
      53.0       1.6
      53.5       1.5
      56.0       3.1
      57.0      10.7
      60.0       1.2
      61.0       6.9
      62.0      12.4
      62.5       1.2
      63.0       7.8
      67.0       1.0
      68.0       8.6
      69.0       7.2
      70.0       5.7
      71.0       1.4
      71.5       1.5
      72.0       1.0
      73.0       4.8
      74.0      13.5
      75.0      46.3
      76.0       6.8
      77.0      34.0
      78.0       2.5
      79.5       5.9
      80.0       2.3
      80.5       1.9
      81.0       6.4
      82.0       1.4
      83.0       2.8
      84.0       1.9
      85.0       2.8
      86.0       2.0
      87.0       1.5
      91.0       1.6
      92.0       2.0
      93.0       7.1
      94.0      11.2
      95.0      65.6
      96.0      15.2
      97.0     100.0
      98.0       6.9
     103.0       1.0
     104.0       1.0
     105.0       5.4
     107.0      18.7
     108.0       5.9
     109.0       3.6
     110.0       1.1
     111.0      17.1
     112.0       4.9
     113.0       6.3
     114.0       1.8
     117.0       3.9
     119.0       1.3
     123.0      33.7
     124.0      22.4
     125.0      95.0
     126.0       7.5
     129.0       6.4
     130.0       5.1
     131.0      10.1
     132.0       2.3
     133.0       2.9
     139.0      23.7
     140.0       3.0
     141.0       8.7
     142.0       2.3
     143.0      26.8
     144.0       2.6
     145.0       8.7
     157.0       6.6
     159.0      33.9
     160.0      66.9
     161.0      15.5
     162.0      21.5
     163.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Cl F O	0.038 g : 0.5 ml CDCl₃
2-chloro-6-fluorobenzyl alcohol

    Assign.     Shift(ppm)

      A             7.24
      B             7.21
      C             7.010
      D             4.840
      E             2.23

     Hz     ppm     Int.

   2903.93   7.267    173
   2902.10   7.262    153
   2896.36   7.248    129
   2894.04   7.242    459
   2888.31   7.228    409
   2885.99   7.222    460
   2880.98   7.209   1000
   2879.52   7.206    949
   2875.85   7.196     31
   2873.29   7.190    228
   2871.46   7.185    163
   2810.42   7.033    281
   2808.96   7.029    270
   2805.30   7.020     31
   2802.49   7.013    276
   2801.27   7.010    460
   2799.07   7.004    260
   2793.95   6.991    206
   2791.75   6.986    210
   1936.04   4.845    560
   1932.50   4.836    561
    893.07   2.235    296

in CDCl3