CID 229352

3-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H7NO4S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
InChIKey
NAETXYOXMDYNLE-UHFFFAOYSA-N
Compound name
3-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1222
Patents

201.00958 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01686 139.5
[M+Na]+ 223.99880 148.9
[M+NH4]+ 219.04340 145.7
[M+K]+ 239.97274 144.2
[M-H]- 200.00230 139.0
[M+Na-2H]- 221.98425 143.6
[M]+ 201.00903 140.8
[M]- 201.01013 140.8
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