CID 4451157

N-(2,6-dichlorophenyl)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₈H₉Cl₂NO₂S

SMILES

CCS(=O)(=O)NC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C8H9Cl2NO2S/c1-2-14(12,13)11-8-6(9)4-3-5-7(8)10/h3-5,11H,2H2,1H3

InChIKey

KFMUJPRKALTEJE-UHFFFAOYSA-N

Compound name

N-(2,6-dichlorophenyl)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 252.9731 Da
Monoisotopic Mass: 2.5
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]+	253.980376	147.7
[M+Na]+	275.962318	158.1
[M-H]-	251.965824	151.9
[M+NH4]+	271.006923	166.8
[M+K]+	291.936258	152.4
[M+H-H2O]+	235.970360	144.3
[M+HCOO]-	297.971301	157.9
[M+CH3COO]-	311.986951	190.4
[M+Na-2H]-	273.947766	151.6
[M]+	252.97255142	153.1
[M]-	252.97364858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe