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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.98038 160.4
[M+Na]+ 323.96232 170.7
[M-H]- 299.96582 167.4
[M+NH4]+ 319.00692 177.2
[M+K]+ 339.93626 163.8
[M+H-H2O]+ 283.97036 155.4
[M+HCOO]- 345.97130 170.9
[M+CH3COO]- 359.98695 198.0
[M+Na-2H]- 321.94777 165.0
[M]+ 300.97255 165.2
[M]- 300.97365 165.2
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.