CID 23596666

2-chloro-n-methylsulfonylacetamide

Structural Information

Molecular Formula

C₃H₆ClNO₃S

SMILES

CS(=O)(=O)NC(=O)CCl

InChI

InChI=1S/C3H6ClNO3S/c1-9(7,8)5-3(6)2-4/h2H2,1H3,(H,5,6)

InChIKey

BKLFBPWLPOUGTM-UHFFFAOYSA-N

Compound name

2-chloro-N-methylsulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 170.9757 Da
Monoisotopic Mass: -0.3
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]+	171.98298	128.6
[M+Na]+	193.96492	137.5
[M-H]-	169.96842	129.8
[M+NH4]+	189.00952	149.9
[M+K]+	209.93886	135.0
[M+H-H2O]+	153.97296	125.3
[M+HCOO]-	215.97390	143.0
[M+CH3COO]-	229.98955	174.4
[M+Na-2H]-	191.95037	133.1
[M]+	170.97515	132.6
[M]-	170.97625	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe