CID 69436

2-sulfamoylbenzoic acid

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

8
References

845
Patents

201.00958 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.01686 137.9
[M+Na]+ 223.99880 146.2
[M-H]- 200.00230 140.3
[M+NH4]+ 219.04340 156.0
[M+K]+ 239.97274 143.3
[M+H-H2O]+ 184.00684 132.5
[M+HCOO]- 246.00778 155.3
[M+CH3COO]- 260.02343 178.9
[M+Na-2H]- 221.98425 141.8
[M]+ 201.00903 138.3
[M]- 201.01013 138.3
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