CID 24698315

3-chloro-2-methanesulfonylaniline

Structural Information

Molecular Formula

C₇H₈ClNO₂S

SMILES

CS(=O)(=O)C1=C(C=CC=C1Cl)N

InChI

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

InChIKey

SNZQGOFQINOHGO-UHFFFAOYSA-N

Compound name

3-chloro-2-methylsulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	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

No literature data available for this compound.

Patent stripe

patents stripe