CID 137965675

1-(chlorosulfonyl)azetidin-3-yl acetate

Structural Information

Molecular Formula

C₅H₈ClNO₄S

SMILES

CC(=O)OC1CN(C1)S(=O)(=O)Cl

InChI

InChI=1S/C5H8ClNO4S/c1-4(8)11-5-2-7(3-5)12(6,9)10/h5H,2-3H2,1H3

InChIKey

GKXWDTDGXBHTDV-UHFFFAOYSA-N

Compound name

(1-chlorosulfonylazetidin-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.98625 Da
Monoisotopic Mass: 0.0
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]+	213.993526	131.2
[M+Na]+	235.975468	138.2
[M-H]-	211.978974	133.6
[M+NH4]+	231.020073	143.2
[M+K]+	251.949408	139.4
[M+H-H2O]+	195.983510	121.1
[M+HCOO]-	257.984451	141.5
[M+CH3COO]-	272.000101	183.0
[M+Na-2H]-	233.960916	134.1
[M]+	212.98570142	144.5
[M]-	212.98679858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.