CID 146065

89665-79-2

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

C1=CC=C(C(=C1)CS(=O)(=O)N)Cl

InChI

InChI=1S/C7H8ClNO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2,(H2,9,10,11)

InChIKey

LOGLVGABKVIWBC-UHFFFAOYSA-N

Compound name

(2-chlorophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 116
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]+	206.00371	138.1
[M+Na]+	227.98565	148.0
[M-H]-	203.98915	142.1
[M+NH4]+	223.03025	158.2
[M+K]+	243.95959	143.3
[M+H-H2O]+	187.99369	133.8
[M+HCOO]-	249.99463	153.0
[M+CH3COO]-	264.01028	180.9
[M+Na-2H]-	225.97110	142.8
[M]+	204.99588	140.8
[M]-	204.99698	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe