CID 16774493

4-hydroxy-3-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H7NO5S
SMILES
C1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)O
InChI
InChI=1S/C7H7NO5S/c8-14(12,13)6-3-4(7(10)11)1-2-5(6)9/h1-3,9H,(H,10,11)(H2,8,12,13)
InChIKey
XALBAJJLPMHBMH-UHFFFAOYSA-N
Compound name
4-hydroxy-3-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.00449 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.01177 142.7
[M+Na]+ 239.99371 151.4
[M+NH4]+ 235.03831 148.0
[M+K]+ 255.96765 147.8
[M-H]- 215.99721 141.1
[M+Na-2H]- 237.97916 145.6
[M]+ 217.00394 143.5
[M]- 217.00504 143.5
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.