33406-96-1

2-氯-5-氟甲苯(33406-96-1)質(zhì)譜(MS)

產(chǎn)品名稱:2-氯-5-氟甲苯

CAS:33406-96-1

分子式:C7H6ClF

分子量: 144.57

InChI:InChI=1S/C7H6ClF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3

InChIKey: NIOGDCDTKPQEAT-UHFFFAOYSA-N

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

¹HNMR

FT-IR

Mass

MS-KW-0161          
2-chloro-5-fluorotoluene
C7H6ClF             (Mass of molecular ion:    144)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       1.4
      38.0       1.2
      39.0       2.7
      43.0       1.3
      44.0       5.4
      50.0       2.2
      51.0       1.9
      53.5       1.2
      54.0       5.2
      57.0       6.2
      61.0       2.1
      62.0       3.8
      63.0       4.6
      72.0       1.6
      73.0       1.8
      74.0       1.2
      75.0       1.1
      81.0       3.8
      82.0       1.1
      83.0      10.3
      84.0       1.0
      85.0       1.0
      86.0       1.0
      89.0       1.9
     107.0      16.3
     108.0      10.5
     109.0     100.0
     110.0       7.7
     117.0       2.1
     143.0      12.0
     144.0      48.9
     145.0       7.5
     146.0      15.7
     147.0       1.2

parameter neat

¹H NMR	300 MHz
C₇ H₆ Cl F	neat
2-chloro-5-fluorotoluene

    Parameter     ppm  Hz

      D(A)         6.705
      D(B)         6.640
      D(C)         7.055
      D(D)         2.176
       J(A,B)          2.77
       J(A,C)          0.99
       J(A,D)         -0.70
       J(A,X)          9.17
       J(B,C)          8.16
       J(B,D)         -0.55
       J(B,X)          8.55
       J(C,D)          0.32
       J(C,X)          5.50
       J(D,X)          0.30
     
     ALBRIKTSEN,P. &.HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)

     Hz     ppm     Int.

   2123.85   7.079     63
   2123.08   7.077     64
   2118.34   7.061     74
   2117.48   7.058     80
   2115.79   7.053     77
   2114.97   7.050     76
   2110.06   7.034     73
   2109.33   7.031     76
   2017.53   6.725     60
   2016.76   6.723     56
   2015.62   6.719     68
   2014.94   6.716     76
   2009.06   6.697     54
   2008.34   6.694     71
   2007.56   6.692     61
   2006.33   6.688     65
   2005.60   6.685     74
   2001.78   6.673     55
   2001.23   6.671     55
   1998.96   6.663     42
   1998.55   6.662     41
   1993.17   6.644     94
   1990.40   6.635     82
   1984.93   6.616     51
   1982.11   6.607     47
    652.84   2.176   1000