CID 165788080

2138120-04-2

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]+	134.00034	115.8
[M+Na]+	155.98228	124.4
[M-H]-	131.98578	118.3
[M+NH4]+	151.02688	130.9
[M+K]+	171.95622	125.6
[M+H-H2O]+	115.99032	106.7
[M+HCOO]-	177.99126	132.9
[M+CH3COO]-	192.00691	172.8
[M+Na-2H]-	153.96773	121.8
[M]+	132.99251	125.5
[M]-	132.99361	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.