CID 67307

137-65-5

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
C1=CC(=C(C=C1S(=O)(=O)N)C(=O)O)N
InChI
InChI=1S/C7H8N2O4S/c8-6-2-1-4(14(9,12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)(H2,9,12,13)
InChIKey
JRGAUAWPCLQHTF-UHFFFAOYSA-N
Compound name
2-amino-5-sulfamoylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

112
Patents

216.02048 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 141.6
[M+Na]+ 239.00970 149.6
[M-H]- 215.01320 143.5
[M+NH4]+ 234.05430 158.6
[M+K]+ 254.98364 146.4
[M+H-H2O]+ 199.01774 135.7
[M+HCOO]- 261.01868 159.2
[M+CH3COO]- 275.03433 185.0
[M+Na-2H]- 236.99515 144.2
[M]+ 216.01993 140.5
[M]- 216.02103 140.5
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