445-03-4

2-氨基-5-氯三氟甲苯(445-03-4)质谱(MS)

产品名称:2-氨基-5-氯三氟甲苯

CAS:445-03-4

分子式:C7H5ClF3N

分子量: 195.57

InChI:InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

InChIKey: CVINWVPRKDIGLL-UHFFFAOYSA-N

Smiles:C1(N)=CC=C(Cl)C=C1C(F)(F)F

Mass

MS-NW-6372          
4-chloro-2-(trifluoromethyl)aniline
C7H5ClF3N           (Mass of molecular ion:    195)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.3
      20.0       1.0
      28.0       3.2
      31.0       1.5
      36.0       1.7
      37.0       2.1
      38.0       2.5
      39.0       2.3
      41.0       2.3
      44.5       1.6
      45.5       1.2
      46.0       1.2
      50.0       2.3
      51.0       1.8
      52.0       4.6
      56.0       1.1
      57.0       1.3
      61.0       2.7
      62.0       4.3
      62.5       1.5
      63.0       9.4
      64.0       2.5
      65.0       2.3
      66.0       1.5
      69.0       2.3
      69.5       1.0
      70.0       5.2
      70.5       1.7
      73.0       2.6
      74.0       2.7
      75.0       4.2
      77.5       1.6
      81.0       1.7
      83.0       1.2
      87.0       1.5
      87.5       4.2
      88.0       5.2
      88.5       1.5
      89.0       2.4
      90.0       3.2
      91.0       1.2
      95.0       1.5
      97.0       1.1
      97.5       2.3
      98.0       1.0
      99.0       2.8
     100.0       1.4
     110.0       1.7
     111.0       1.1
     112.0       2.5
     113.0       8.6
     114.0       2.3
     120.0       3.0
     125.0       2.5
     131.0       1.2
     132.0       5.0
     133.0       1.4
     136.0       1.1
     138.0       1.5
     139.0       2.2
     140.0       5.2
     145.0       1.5
     147.0       1.3
     148.0      56.8
     149.0       4.3
     150.0      18.5
     151.0       1.3
     156.0       2.4
     158.0       1.2
     160.0       2.1
     167.0       1.3
     174.0       1.4
     175.0      73.5
     176.0      15.4
     177.0      24.3
     178.0       5.1
     194.0       2.9
     195.0     100.0
     196.0       9.3
     197.0      32.4
     198.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Cl F₃ N	0.05 ml : 0.5 ml CDCl₃
4-chloro-2-(trifluoromethyl)aniline

    Assign.     Shift(ppm)

      A             7.380
      B             7.205
      C             6.629
      D             4.15

     Hz     ppm     Int.

   2957.15   7.400     21
   2956.42   7.398     23
   2950.93   7.384    959
   2948.49   7.378   1000
   2942.87   7.364     26
   2942.38   7.363     24
   2885.50   7.221    504
   2884.89   7.219    502
   2883.06   7.214    476
   2882.45   7.213    451
   2876.83   7.199    534
   2876.22   7.197    537
   2874.39   7.193    518
   2873.78   7.191    497
   2653.56   6.640    862
   2644.78   6.618    809
   1658.81   4.151    242

in CDCl3