CID 31388

N-chloro-p-toluenesulfonamide

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCl

InChI

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

InChIKey

NXTVQNIVUKXOIL-UHFFFAOYSA-N

Compound name

N-chloro-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1360
References: 120934
Patents: 204.99643 Da
Monoisotopic Mass: 1.7
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]+	206.00371	137.7
[M+Na]+	227.98565	147.5
[M-H]-	203.98915	142.2
[M+NH4]+	223.03025	158.0
[M+K]+	243.95959	143.2
[M+H-H2O]+	187.99369	133.3
[M+HCOO]-	249.99463	153.2
[M+CH3COO]-	264.01028	181.6
[M+Na-2H]-	225.97110	143.4
[M]+	204.99588	141.4
[M]-	204.99698	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe