CID 1711930

3-(phenylsulfonyl)acrylonitrile

Structural Information

Molecular Formula
C9H7NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)/C=C/C#N
InChI
InChI=1S/C9H7NO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-6,8H/b8-4+
InChIKey
VYULCLGNLSTLFX-XBXARRHUSA-N
Compound name
(E)-3-(benzenesulfonyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

193.01974 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02702 148.8
[M+Na]+ 216.00896 159.8
[M-H]- 192.01246 153.0
[M+NH4]+ 211.05356 166.9
[M+K]+ 231.98290 155.9
[M+H-H2O]+ 176.01700 136.9
[M+HCOO]- 238.01794 164.2
[M+CH3COO]- 252.03359 190.1
[M+Na-2H]- 213.99441 153.2
[M]+ 193.01919 145.8
[M]- 193.02029 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe