CID 155822650

2503206-96-8

Structural Information

Molecular Formula

C₆H₁₀ClNO₃S

SMILES

CS(=O)(=O)N1CC(C1)C(=O)CCl

InChI

InChI=1S/C6H10ClNO3S/c1-12(10,11)8-3-5(4-8)6(9)2-7/h5H,2-4H2,1H3

InChIKey

VKDCKBBVAVZPDF-UHFFFAOYSA-N

Compound name

2-chloro-1-(1-methylsulfonylazetidin-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.00699 Da
Monoisotopic Mass: -0.4
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	133.4
[M+Na]+	233.996208	140.3
[M-H]-	209.999714	135.7
[M+NH4]+	229.040813	145.6
[M+K]+	249.970148	140.7
[M+H-H2O]+	194.004250	123.4
[M+HCOO]-	256.005191	143.2
[M+CH3COO]-	270.020841	184.5
[M+Na-2H]-	231.981656	135.6
[M]+	211.00644142	145.8
[M]-	211.00753858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.