CID 10313279

Benzenesulfonyl cyanide

Structural Information

Molecular Formula
C7H5NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C#N
InChI
InChI=1S/C7H5NO2S/c8-6-11(9,10)7-4-2-1-3-5-7/h1-5H
InChIKey
VKEVYOIDTOPARM-UHFFFAOYSA-N
Compound name
benzenesulfonylformonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

177
Patents

167.0041 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.011376 140.4
[M+Na]+ 189.993318 151.8
[M-H]- 165.996824 144.9
[M+NH4]+ 185.037923 159.4
[M+K]+ 205.967258 149.0
[M+H-H2O]+ 150.001360 128.8
[M+HCOO]- 212.002301 156.2
[M+CH3COO]- 226.017951 186.1
[M+Na-2H]- 187.978766 145.8
[M]+ 167.00355142 137.4
[M]- 167.00464858 137.4
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