CID 23596666

2-chloro-n-(methylsulfonyl)acetamide

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: 60
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	132.6
[M+Na]+	193.96492	141.5
[M+NH4]+	189.00952	139.5
[M+K]+	209.93886	136.1
[M-H]-	169.96842	130.5
[M+Na-2H]-	191.95037	134.9
[M]+	170.97515	133.7
[M]-	170.97625	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe