CID 80635

4-sulfanilamidobenzoic acid

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₄S

SMILES

C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C13H12N2O4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,14H2,(H,16,17)

InChIKey

WNLOVPITXSWKEZ-UHFFFAOYSA-N

Compound name

4-[(4-aminophenyl)sulfonylamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 7
Patents: 292.0518 Da
Monoisotopic Mass: 1.6
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]+	293.05908	162.4
[M+Na]+	315.04102	172.6
[M+NH4]+	310.08562	168.4
[M+K]+	331.01496	166.8
[M-H]-	291.04452	164.9
[M+Na-2H]-	313.02647	169.1
[M]+	292.05125	164.7
[M]-	292.05235	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe