CID 776763

4-(2,5-dichlorobenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C13H9Cl2NO4S
SMILES
C1=CC(=CC=C1C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2NO4S/c14-9-3-6-11(15)12(7-9)21(19,20)16-10-4-1-8(2-5-10)13(17)18/h1-7,16H,(H,17,18)
InChIKey
OPLDPGZGIUEIMK-UHFFFAOYSA-N
Compound name
4-[(2,5-dichlorophenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

344.96292 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.970196 168.0
[M+Na]+ 367.952138 177.7
[M-H]- 343.955644 174.0
[M+NH4]+ 362.996743 182.3
[M+K]+ 383.926078 171.2
[M+H-H2O]+ 327.960180 163.4
[M+HCOO]- 389.961121 176.5
[M+CH3COO]- 403.976771 204.1
[M+Na-2H]- 365.937586 170.9
[M]+ 344.96237142 173.5
[M]- 344.96346858 173.5
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

No patent data available for this compound.