5527-95-7

4-氯-3-氟苯甲醛(5527-95-7)质谱(MS)

产品名称:4-氯-3-氟苯甲醛

CAS:5527-95-7

分子式:C7H4ClFO

分子量: 158.56

InChI:InChI=1S/C7H4ClFO/c8-6-2-1-5(4-10)3-7(6)9/h1-4H

InChIKey: AZMDWRPTDCIFRD-UHFFFAOYSA-N

Smiles:C(=O)C1=CC=C(Cl)C(F)=C1

Mass

MS-IW-9554          
4-chloro-3-fluorobenzaldehyde
C7H4ClFO            (Mass of molecular ion:    158)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.3
      29.0       4.4
      31.0       2.3
      36.0       1.5
      37.0       2.9
      38.0       2.0
      39.0       1.2
      49.0       1.7
      50.0       9.0
      51.0       2.6
      56.0       1.1
      57.0       1.3
      61.0       3.8
      62.0       3.0
      63.0       3.9
      65.0       2.0
      68.0       7.7
      69.0       5.9
      70.0       1.3
      73.0       3.1
      74.0      10.6
      75.0      12.3
      84.0       1.5
      85.0       1.1
      91.0       1.0
      92.0       2.9
      93.0      11.3
      94.0      13.0
      95.0      17.8
      96.0       1.3
     103.0       1.2
     109.0       7.3
     110.0       1.1
     111.0       2.6
     128.0       1.1
     129.0      59.9
     130.0      10.7
     131.0      19.5
     132.0       3.3
     157.0     100.0
     158.0      72.6
     159.0      37.5
     160.0      23.5
     161.0       1.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₄ Cl F O	saturated in CDCl₃
4-chloro-3-fluorobenzaldehyde

    Assign.     Shift(ppm)

      A             9.968
      B             7.67
      C             7.641
      D             7.61

     Hz     ppm     Int.

   3984.68   9.971   1000
   3982.85   9.966    964
   3066.25   7.673    379
   3064.58   7.669    534
   3060.61   7.659    253
   3059.54   7.656    342
   3057.40   7.651    538
   3055.57   7.646    646
   3052.83   7.639    941
   3050.99   7.635    666
   3046.11   7.622    584
   3040.01   7.607    622
   3038.33   7.603    193
   3035.58   7.596     81
   3031.46   7.586    267

in CDCl3