CID 16226902

877964-32-4

Structural Information

Molecular Formula

C₉H₁₆ClNO₄S

SMILES

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

InChI

InChI=1S/C9H16ClNO4S/c1-15-4-3-11(9(12)6-10)8-2-5-16(13,14)7-8/h8H,2-7H2,1H3

InChIKey

VPLVJJBODXVKPS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 269.04886 Da
Monoisotopic Mass: -0.2
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]+	270.056136	155.6
[M+Na]+	292.038078	162.8
[M-H]-	268.041584	160.5
[M+NH4]+	287.082683	177.3
[M+K]+	308.012018	160.9
[M+H-H2O]+	252.046120	151.9
[M+HCOO]-	314.047061	170.0
[M+CH3COO]-	328.062711	194.5
[M+Na-2H]-	290.023526	156.0
[M]+	269.04831142	161.7
[M]-	269.04940858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe