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Back ChemicalBook Home>CAS DataBase List>2106-02-7More Spectrum> 2-Chloro-4-fluoroaniline(2106-02-7) MS

2-Chloro-4-fluoroaniline(2106-02-7) MS

Molecular FormulaC6H5ClFN

Molecular Weight145.56

InChIInChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2

InChIKey XRAKCYJTJGTSMM-UHFFFAOYSA-N

SmilesC1(N)=CC=C(F)C=C1Cl


  • Mass

    MS-NW-9679          
    2-chloro-4-fluoroaniline
    C6H5ClFN            (Mass of molecular ion:    145)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          28.0       1.5
          31.0       1.2
          52.0       2.1
          54.5       3.7
          56.0       1.1
          57.0       4.2
          61.0       1.1
          62.0       1.9
          63.0       3.8
          72.5       5.2
          73.5       1.6
          81.0       3.4
          82.0      13.8
          83.0      18.0
          84.0       1.9
          89.0       2.7
          90.0       3.7
          91.0       1.2
         108.0       2.4
         109.0      10.9
         110.0      10.8
         117.0       5.9
         118.0       5.3
         119.0       2.3
         120.0       1.7
         144.0       2.2
         145.0     100.0
         146.0       7.7
         147.0      32.4
         148.0       2.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C6 H5 Cl F N 0.05 ml : 0.5 ml CDCl3
    2-chloro-4-fluoroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.991 B 6.781 C 6.647 D 3.9

         Hz     ppm     Int.
    

       2799.80   7.006    900
       2799.44   7.005    794
       2796.88   6.999    912
       2794.19   6.992     97
       2793.82   6.991    101
       2791.38   6.985    838
       2788.57   6.978    946
       2785.89   6.971     65
       2785.52   6.970     66
       2783.08   6.964     37
       2722.90   6.814     37
       2720.70   6.808    543
       2717.77   6.801    559
       2716.19   6.797     73
       2712.65   6.788    675
       2711.79   6.786    843
       2709.72   6.781    653
       2708.98   6.779    751
       2706.05   6.772     81
       2703.74   6.766    789
       2700.93   6.759    722
       2698.12   6.752     43
       2663.33   6.665    958
       2658.08   6.652   1000
       2654.42   6.642    763
       2652.10   6.637     82
       2651.73   6.636     84
       2649.29   6.630    723
       2648.93   6.629    668
       2642.82   6.613     31
       1547.61   3.873    198
    

in CDCl3



liquid film





2-Chloro-4-fluoroaniline(2106-02-7) MS Atlas of Related Products

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