CID 235965

2-{[(4-aminophenyl)sulfonyl]amino}benzoic acid

Structural Information

Molecular Formula
C13H12N2O4S
SMILES
C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H12N2O4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,14H2,(H,16,17)
InChIKey
FQQBKLWSOPUVAC-UHFFFAOYSA-N
Compound name
2-[(4-aminophenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

292.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05908 162.1
[M+Na]+ 315.04102 169.1
[M-H]- 291.04452 167.3
[M+NH4]+ 310.08562 175.9
[M+K]+ 331.01496 164.5
[M+H-H2O]+ 275.04906 154.7
[M+HCOO]- 337.05000 180.1
[M+CH3COO]- 351.06565 199.6
[M+Na-2H]- 313.02647 166.0
[M]+ 292.05125 161.9
[M]- 292.05235 161.9
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