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 140.6
[M+Na]+ 239.99371 149.0
[M-H]- 215.99721 141.8
[M+NH4]+ 235.03831 157.5
[M+K]+ 255.96765 145.9
[M+H-H2O]+ 200.00175 135.4
[M+HCOO]- 262.00269 156.7
[M+CH3COO]- 276.01834 180.2
[M+Na-2H]- 237.97916 143.7
[M]+ 217.00394 141.0
[M]- 217.00504 141.0
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

patents stripe