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]+ 194.02702 147.7
[M+Na]+ 216.00896 159.3
[M-H]- 192.01246 152.2
[M+NH4]+ 211.05356 166.0
[M+K]+ 231.98290 155.6
[M+H-H2O]+ 176.01700 136.0
[M+HCOO]- 238.01794 163.1
[M+CH3COO]- 252.03359 191.7
[M+Na-2H]- 213.99441 151.6
[M]+ 193.01919 145.1
[M]- 193.02029 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.