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

3
Patents

217.00449 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.011766 140.6
[M+Na]+ 239.993708 149.0
[M-H]- 215.997214 141.8
[M+NH4]+ 235.038313 157.5
[M+K]+ 255.967648 145.9
[M+H-H2O]+ 200.001750 135.4
[M+HCOO]- 262.002691 156.7
[M+CH3COO]- 276.018341 180.2
[M+Na-2H]- 237.979156 143.7
[M]+ 217.00394142 141.0
[M]- 217.00503858 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