CID 18461734

1778-37-6

Structural Information

Molecular Formula
C7H7NO3S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)C=O
InChI
InChI=1S/C7H7NO3S/c8-12(10,11)7-3-1-2-6(4-7)5-9/h1-5H,(H2,8,10,11)
InChIKey
FMWFGTCTSJNEDX-UHFFFAOYSA-N
Compound name
3-formylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

185.01466 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.021936 134.4
[M+Na]+ 208.003878 143.8
[M-H]- 184.007384 138.3
[M+NH4]+ 203.048483 154.2
[M+K]+ 223.977818 140.8
[M+H-H2O]+ 168.011920 129.0
[M+HCOO]- 230.012861 154.3
[M+CH3COO]- 244.028511 178.3
[M+Na-2H]- 205.989326 139.7
[M]+ 185.01411142 136.0
[M]- 185.01520858 136.0
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