CID 43446416

2-(ethenesulfonyl)benzonitrile

Structural Information

Molecular Formula
C9H7NO2S
SMILES
C=CS(=O)(=O)C1=CC=CC=C1C#N
InChI
InChI=1S/C9H7NO2S/c1-2-13(11,12)9-6-4-3-5-8(9)7-10/h2-6H,1H2
InChIKey
UGPPDKGSIGPSHG-UHFFFAOYSA-N
Compound name
2-ethenylsulfonylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.01974 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.027016 147.7
[M+Na]+ 216.008958 159.3
[M-H]- 192.012464 152.2
[M+NH4]+ 211.053563 166.0
[M+K]+ 231.982898 155.6
[M+H-H2O]+ 176.017000 136.0
[M+HCOO]- 238.017941 163.1
[M+CH3COO]- 252.033591 191.7
[M+Na-2H]- 213.994406 151.6
[M]+ 193.01919142 145.1
[M]- 193.02028858 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.