CID 1811085

2-chloro-5-methanesulfonylaniline

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

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

InChI

InChI=1S/C7H8ClNO2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

InChIKey

JZYXWKXXTIMVOA-UHFFFAOYSA-N

Compound name

2-chloro-5-methylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 63
Patents: 204.99643 Da
Monoisotopic Mass: 1.5
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	140.5
[M+Na]+	227.98565	152.9
[M+NH4]+	223.03025	149.0
[M+K]+	243.95959	145.4
[M-H]-	203.98915	142.1
[M+Na-2H]-	225.97110	146.3
[M]+	204.99588	143.5
[M]-	204.99698	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe