399-35-9

2-氯-4-氟乙酰苯胺(399-35-9)质谱(MS)

产品名称:2-氯-4-氟乙酰苯胺

CAS:399-35-9

分子式:C8H7ClFNO

分子量: 187.6

InChI:InChI=1S/C8H7ClFNO/c1-5(12)11-8-3-2-6(10)4-7(8)9/h2-4H,1H3,(H,11,12)

InChIKey: ZULZFLOGABTQFR-UHFFFAOYSA-N

Smiles:C(NC1=CC=C(F)C=C1Cl)(=O)C

Mass

MS-IW-5096          
2'-chloro-4'-fluoroacetanilide
C8H7ClFNO           (Mass of molecular ion:    187)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      15.0       1.2
      43.0      23.4
      57.0       2.0
      63.0       1.2
      81.0       2.0
      82.0       3.3
      83.0       4.0
     108.0       2.2
     109.0       4.4
     110.0       3.9
     117.0       4.5
     118.0       1.8
     119.0       1.5
     144.0       1.5
     145.0     100.0
     146.0       7.5
     147.0      32.1
     148.0       2.2
     152.0      13.8
     153.0       1.3
     187.0      19.8
     188.0       2.2
     189.0       6.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₇ Cl F N O	0.041 g : 0.5 ml CDCl₃
2'-chloro-4'-fluoroacetanilide

    Assign.     Shift(ppm)

      A             8.256
      B             7.58
      C             7.117
      D             6.987
      E             2.229

     Hz     ppm     Int.

   3307.01   8.275     79
   3301.27   8.261     88
   3297.85   8.252     90
   3292.11   8.238     83
   3029.42   7.581     44
   2849.98   7.132    106
   2847.17   7.125    120
   2842.04   7.112    110
   2839.11   7.104    118
   2802.12   7.012     72
   2799.32   7.005     68
   2794.19   6.992     87
   2792.97   6.989     93
   2791.38   6.985     87
   2790.28   6.982     82
   2785.16   6.969     72
   2782.23   6.962     65
    890.99   2.230   1000

in CDCl3