CID 306214

3',4-dichlorobenzenesulfonanilide

Structural Information

Molecular Formula

C₁₂H₉Cl₂NO₂S

SMILES

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

InChI

InChI=1S/C12H9Cl2NO2S/c13-9-4-6-12(7-5-9)18(16,17)15-11-3-1-2-10(14)8-11/h1-8,15H

InChIKey

WODOCQYEVFOZDC-UHFFFAOYSA-N

Compound name

4-chloro-N-(3-chlorophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 300.9731 Da
Monoisotopic Mass: 3.5
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]+	301.980376	160.4
[M+Na]+	323.962318	170.7
[M-H]-	299.965824	167.4
[M+NH4]+	319.006923	177.2
[M+K]+	339.936258	163.8
[M+H-H2O]+	283.970360	155.4
[M+HCOO]-	345.971301	170.9
[M+CH3COO]-	359.986951	198.0
[M+Na-2H]-	321.947766	165.0
[M]+	300.97255142	165.2
[M]-	300.97364858	165.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.