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: 163
Patents: 216.02048 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	217.027756	141.6
[M+Na]+	239.009698	149.6
[M-H]-	215.013204	143.5
[M+NH4]+	234.054303	158.6
[M+K]+	254.983638	146.4
[M+H-H2O]+	199.017740	135.7
[M+HCOO]-	261.018681	159.2
[M+CH3COO]-	275.034331	185.0
[M+Na-2H]-	236.995146	144.2
[M]+	216.01993142	140.5
[M]-	216.02102858	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe