CID 2772273

852399-83-8

Structural Information

Molecular Formula

C₁₁H₁₈ClNO₄S

SMILES

C1CC(OC1)CN(C2CCS(=O)(=O)C2)C(=O)CCl

InChI

InChI=1S/C11H18ClNO4S/c12-6-11(14)13(7-10-2-1-4-17-10)9-3-5-18(15,16)8-9/h9-10H,1-8H2

InChIKey

WCWHQZCCLNJYHW-UHFFFAOYSA-N

Compound name

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 295.0645 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]+	296.071776	166.9
[M+Na]+	318.053718	172.9
[M-H]-	294.057224	175.2
[M+NH4]+	313.098323	187.7
[M+K]+	334.027658	171.8
[M+H-H2O]+	278.061760	163.2
[M+HCOO]-	340.062701	179.3
[M+CH3COO]-	354.078351	197.2
[M+Na-2H]-	316.039166	165.3
[M]+	295.06395142	170.0
[M]-	295.06504858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe