CID 6490304

84611-22-3

Structural Information

Molecular Formula

C₆H₈ClNO₂S

SMILES

C1CSC(=O)C1NC(=O)CCl

InChI

InChI=1S/C6H8ClNO2S/c7-3-5(9)8-4-1-2-11-6(4)10/h4H,1-3H2,(H,8,9)

InChIKey

OSXVVUUZQNPXHC-UHFFFAOYSA-N

Compound name

2-chloro-N-(2-oxothiolan-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 192.99643 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]+	194.00371	139.6
[M+Na]+	215.98565	147.3
[M-H]-	191.98915	143.3
[M+NH4]+	211.03025	161.8
[M+K]+	231.95959	144.0
[M+H-H2O]+	175.99369	135.4
[M+HCOO]-	237.99463	153.7
[M+CH3COO]-	252.01028	179.1
[M+Na-2H]-	213.97110	139.8
[M]+	192.99588	140.6
[M]-	192.99698	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe