CID 44108

62646-28-0

Structural Information

Molecular Formula
C13H12N2O6S2
SMILES
C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C13H12N2O6S2/c14-22(18,19)11-5-7-12(8-6-11)23(20,21)15-10-3-1-9(2-4-10)13(16)17/h1-8,15H,(H,16,17)(H2,14,18,19)
InChIKey
YNKYUVNLFJJWHG-UHFFFAOYSA-N
Compound name
4-[(4-sulfamoylphenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.01367 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.02095 176.1
[M+Na]+ 379.00289 182.4
[M-H]- 355.00639 180.2
[M+NH4]+ 374.04749 186.8
[M+K]+ 394.97683 176.7
[M+H-H2O]+ 339.01093 168.6
[M+HCOO]- 401.01187 187.4
[M+CH3COO]- 415.02752 207.6
[M+Na-2H]- 376.98834 180.8
[M]+ 356.01312 177.1
[M]- 356.01422 177.1
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.