CID 295196

4-chloro-n-(3-chloro-4-methylphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C13H11Cl2NO2S
SMILES
CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H11Cl2NO2S/c1-9-2-5-11(8-13(9)15)16-19(17,18)12-6-3-10(14)4-7-12/h2-8,16H,1H3
InChIKey
YXFVXBOREVXWRU-UHFFFAOYSA-N
Compound name
4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

314.98877 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99605 164.6
[M+Na]+ 337.97799 175.3
[M-H]- 313.98149 171.8
[M+NH4]+ 333.02259 181.2
[M+K]+ 353.95193 168.3
[M+H-H2O]+ 297.98603 159.6
[M+HCOO]- 359.98697 174.8
[M+CH3COO]- 374.00262 202.1
[M+Na-2H]- 335.96344 168.1
[M]+ 314.98822 170.2
[M]- 314.98932 170.2
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

patents stripe