CID 214104

Benzenesulfonic acid, 3-(2-carboxyanilino)-

Structural Information

Molecular Formula
C13H11NO5S
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC(=CC=C2)S(=O)(=O)O
InChI
InChI=1S/C13H11NO5S/c15-13(16)11-6-1-2-7-12(11)14-9-4-3-5-10(8-9)20(17,18)19/h1-8,14H,(H,15,16)(H,17,18,19)
InChIKey
FNAKUEGSLRUPTF-UHFFFAOYSA-N
Compound name
2-(3-sulfoanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0358 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.04308 161.9
[M+Na]+ 316.02502 172.7
[M+NH4]+ 311.06962 167.7
[M+K]+ 331.99896 167.1
[M-H]- 292.02852 163.4
[M+Na-2H]- 314.01047 168.3
[M]+ 293.03525 164.1
[M]- 293.03635 164.1
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

No patent data available for this compound.