CID 776763

88522-31-0

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]+ 345.97020 173.1
[M+Na]+ 367.95214 186.5
[M+NH4]+ 362.99674 180.0
[M+K]+ 383.92608 178.4
[M-H]- 343.95564 175.4
[M+Na-2H]- 365.93759 180.0
[M]+ 344.96237 176.6
[M]- 344.96347 176.6
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.