CID 824878

N-(2-chlorophenyl)methanesulfonamide

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

CS(=O)(=O)NC1=CC=CC=C1Cl

InChI

InChI=1S/C7H8ClNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3

InChIKey

SHUVGAXCIRHIEM-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 204.99643 Da
Monoisotopic Mass: 1.1
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]+	206.003706	137.7
[M+Na]+	227.985648	147.5
[M-H]-	203.989154	142.2
[M+NH4]+	223.030253	158.0
[M+K]+	243.959588	143.2
[M+H-H2O]+	187.993690	133.3
[M+HCOO]-	249.994631	153.2
[M+CH3COO]-	264.010281	181.6
[M+Na-2H]-	225.971096	143.4
[M]+	204.99588142	141.4
[M]-	204.99697858	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe