CID 710745

2,5-dichloro-n-(2-ethylphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H13Cl2NO2S
SMILES
CCC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H13Cl2NO2S/c1-2-10-5-3-4-6-13(10)17-20(18,19)14-9-11(15)7-8-12(14)16/h3-9,17H,2H2,1H3
InChIKey
LZWDAQVZAPNWLA-UHFFFAOYSA-N
Compound name
2,5-dichloro-N-(2-ethylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

329.0044 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.01168 169.0
[M+Na]+ 351.99362 179.3
[M-H]- 327.99712 176.1
[M+NH4]+ 347.03822 185.0
[M+K]+ 367.96756 172.1
[M+H-H2O]+ 312.00166 163.8
[M+HCOO]- 374.00260 178.9
[M+CH3COO]- 388.01825 205.0
[M+Na-2H]- 349.97907 172.1
[M]+ 329.00385 175.0
[M]- 329.00495 175.0
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.