CID 3161033

554425-47-7

Structural Information

Molecular Formula

C₈H₁₄ClNO₃S

SMILES

CCN(C1CCS(=O)(=O)C1)C(=O)CCl

InChI

InChI=1S/C8H14ClNO3S/c1-2-10(8(11)5-9)7-3-4-14(12,13)6-7/h7H,2-6H2,1H3

InChIKey

KHPZISZMSODHDH-UHFFFAOYSA-N

Compound name

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 239.0383 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]+	240.04558	148.7
[M+Na]+	262.02752	156.5
[M-H]-	238.03102	153.8
[M+NH4]+	257.07212	171.7
[M+K]+	278.00146	154.3
[M+H-H2O]+	222.03556	145.2
[M+HCOO]-	284.03650	163.1
[M+CH3COO]-	298.05215	189.4
[M+Na-2H]-	260.01297	149.2
[M]+	239.03775	152.9
[M]-	239.03885	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe