Chloroacetonitrile(107-14-2) MS
Molecular FormulaC2H2ClN
Molecular Weight75.5
InChIInChI=1S/C2H2ClN/c3-1-2-4/h1H2
InChIKey RENMDAKOXSCIGH-UHFFFAOYSA-N
SmilesC(#N)CCl
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Mass
MS-NW-1496
chloroacetonitrile
C2H2ClN (Mass of molecular ion: 75)
Source Temperature: 250 °C
Sample Temperature: 180 °C
Reservoir, 75 eV
12.0 3.1
13.0 2.3
14.0 1.8
24.0 1.0
25.0 1.9
26.0 2.8
27.0 1.8
28.0 5.8
35.0 5.7
36.0 1.2
36.5 2.4
37.0 2.2
38.0 11.8
39.0 13.2
40.0 43.4
41.0 1.3
44.0 2.3
47.0 11.1
48.0 84.7
49.0 6.8
50.0 26.5
51.0 1.4
73.0 2.3
74.0 4.5
75.0 100.0
76.0 3.9
77.0 32.1
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1H NMR |
300 MHz |
C2 H2 Cl N
|
0.02 ml : 0.5 ml CDCl3
|
chloroacetonitrile
|
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Parameter ppm Hz
D(A) 4.113
|
Hz ppm Int.
1233.90 4.113 1000
PHOTOLYSIS OF (C2H5)3SIH/DTBPO/CLCH2CN