CID 7370

Benzenesulfonamide

Structural Information

Molecular Formula
C6H7NO2S
SMILES
C1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey
KHBQMWCZKVMBLN-UHFFFAOYSA-N
Compound name
benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

834
References

114384
Patents

157.01974 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.027016 128.0
[M+Na]+ 180.008958 136.8
[M-H]- 156.012464 131.8
[M+NH4]+ 175.053563 148.8
[M+K]+ 195.982898 134.1
[M+H-H2O]+ 140.017000 122.7
[M+HCOO]- 202.017941 147.8
[M+CH3COO]- 216.033591 172.9
[M+Na-2H]- 177.994406 134.3
[M]+ 157.01919142 128.1
[M]- 157.02028858 128.1
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