CID 669023

N-(2,4-dichlorophenyl)methanesulfonamide

Structural Information

Molecular Formula

C₇H₇Cl₂NO₂S

SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C7H7Cl2NO2S/c1-13(11,12)10-7-3-2-5(8)4-6(7)9/h2-4,10H,1H3

InChIKey

GISOIDVHILEZAD-UHFFFAOYSA-N

Compound name

N-(2,4-dichlorophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 238.95746 Da
Monoisotopic Mass: 2.7
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]+	239.964736	143.3
[M+Na]+	261.946678	154.1
[M-H]-	237.950184	147.6
[M+NH4]+	256.991283	162.9
[M+K]+	277.920618	148.6
[M+H-H2O]+	221.954720	140.0
[M+HCOO]-	283.955661	153.7
[M+CH3COO]-	297.971311	187.5
[M+Na-2H]-	259.932126	147.6
[M]+	238.95691142	148.2
[M]-	238.95800858	148.2

Literature stripe

literature stripe

Patent stripe

patents stripe