CID 171110

1-chloro-n-ethylmethanesulfonamide

Structural Information

Molecular Formula

C₃H₈ClNO₂S

SMILES

CCNS(=O)(=O)CCl

InChI

InChI=1S/C3H8ClNO2S/c1-2-5-8(6,7)3-4/h5H,2-3H2,1H3

InChIKey

PMTFQVVOCAWRIG-UHFFFAOYSA-N

Compound name

1-chloro-N-ethylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 156.99643 Da
Monoisotopic Mass: 0.4
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]+	158.00371	129.9
[M+Na]+	179.98565	139.6
[M+NH4]+	175.03025	137.8
[M+K]+	195.95959	132.9
[M-H]-	155.98915	128.8
[M+Na-2H]-	177.97110	133.1
[M]+	156.99588	131.5
[M]-	156.99698	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe