CID 793727

325724-62-7

Structural Information

Molecular Formula

C₁₃H₉Cl₂NO₄S

SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C13H9Cl2NO4S/c14-9-2-4-10(5-3-9)16-21(19,20)12-7-8(13(17)18)1-6-11(12)15/h1-7,16H,(H,17,18)

InChIKey

OHSURHKNUAUYHW-UHFFFAOYSA-N

Compound name

4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.96292 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.