CID 7731270

2-hydroxy-5-sulfamoylbenzoic acid

Structural Information

Molecular Formula
C7H7NO5S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)O
InChI
InChI=1S/C7H7NO5S/c8-14(12,13)4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)(H2,8,12,13)
InChIKey
WKQMYKUTVQZUBG-UHFFFAOYSA-N
Compound name
2-hydroxy-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

217.00449 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe