CID 2772169

5612-41-9

Structural Information

Molecular Formula

C₆H₁₀ClNO₃S

SMILES

C1CS(=O)(=O)CC1NC(=O)CCl

InChI

InChI=1S/C6H10ClNO3S/c7-3-6(9)8-5-1-2-12(10,11)4-5/h5H,1-4H2,(H,8,9)

InChIKey

NMYROJFXBFTDBK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.00699 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]+	212.014266	140.2
[M+Na]+	233.996208	148.7
[M-H]-	209.999714	144.1
[M+NH4]+	229.040813	163.6
[M+K]+	249.970148	145.5
[M+H-H2O]+	194.004250	137.1
[M+HCOO]-	256.005191	154.7
[M+CH3COO]-	270.020841	180.0
[M+Na-2H]-	231.981656	142.2
[M]+	211.00644142	142.3
[M]-	211.00753858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe