CID 710743

2,5-dichloro-n-(2,4-dimethylphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H13Cl2NO2S
SMILES
CC1=CC(=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C
InChI
InChI=1S/C14H13Cl2NO2S/c1-9-3-6-13(10(2)7-9)17-20(18,19)14-8-11(15)4-5-12(14)16/h3-8,17H,1-2H3
InChIKey
HICPXMFCCURGLK-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-(2,4-dimethylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0044 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01168 168.8
[M+Na]+ 351.99362 179.8
[M-H]- 327.99712 176.1
[M+NH4]+ 347.03822 185.0
[M+K]+ 367.96756 172.7
[M+H-H2O]+ 312.00166 163.8
[M+HCOO]- 374.00260 178.5
[M+CH3COO]- 388.01825 206.2
[M+Na-2H]- 349.97907 171.2
[M]+ 329.00385 175.1
[M]- 329.00495 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.