4-CYANOPHENYL ISOTHIOCYANATE(2719-32-6) IR1
Molecular FormulaC8H4N2S
Molecular Weight160.2
InChIInChI=1S/C8H4N2S/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H
InChIKey DZFKAXLNKZXNHD-UHFFFAOYSA-N
SmilesC(#N)C1=CC=C(N=C=S)C=C1
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![](https://www.chemicalbook.com/Spectrum/2719-32-6_MS.gif)
Mass
MS-IW-3915
p-cyanophenyl isothiocyanate
C8H4N2S (Mass of molecular ion: 160)
Source Temperature: 120 °C
Sample Temperature: 100 °C
Direct, 75 eV
18.0 1.0
37.0 1.5
38.0 1.3
45.0 1.0
50.0 4.5
51.0 5.8
52.0 1.6
62.0 1.6
63.0 1.8
64.0 2.0
66.5 1.7
70.0 1.7
74.0 2.2
75.0 10.9
76.0 6.6
80.0 4.1
88.0 1.2
89.0 1.2
101.0 1.3
102.0 38.0
103.0 3.1
116.0 4.6
128.0 1.0
133.0 3.9
160.0 100.0
161.0 10.4
162.0 5.1