CID 165788080

3-oxoazetidine-1-carbonyl chloride

Structural Information

Molecular Formula

C₄H₄ClNO₂

SMILES

C1C(=O)CN1C(=O)Cl

InChI

InChI=1S/C4H4ClNO2/c5-4(8)6-1-3(7)2-6/h1-2H2

InChIKey

TVNBNQHWFPIRGW-UHFFFAOYSA-N

Compound name

3-oxoazetidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 132.99306 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]+	134.000336	115.8
[M+Na]+	155.982278	124.4
[M-H]-	131.985784	118.3
[M+NH4]+	151.026883	130.9
[M+K]+	171.956218	125.6
[M+H-H2O]+	115.990320	106.7
[M+HCOO]-	177.991261	132.9
[M+CH3COO]-	192.006911	172.8
[M+Na-2H]-	153.967726	121.8
[M]+	132.99251142	125.5
[M]-	132.99360858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.