CID 18672214

O-chloramine t

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

CC1=CC=CC=C1S(=O)(=O)NCl

InChI

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

InChIKey

JNWGYSUVTQLCQP-UHFFFAOYSA-N

Compound name

N-chloro-2-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 144
Patents: 204.99643 Da
Monoisotopic Mass: 1.6
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	140.4
[M+Na]+	227.98565	152.7
[M+NH4]+	223.03025	149.0
[M+K]+	243.95959	144.8
[M-H]-	203.98915	142.1
[M+Na-2H]-	225.97110	146.9
[M]+	204.99588	143.4
[M]-	204.99698	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe