CID 45080713

90251-23-3

Structural Information

Molecular Formula

C₅H₄ClNO₂

SMILES

C1=CON=C1C(=O)CCl

InChI

InChI=1S/C5H4ClNO2/c6-3-5(8)4-1-2-9-7-4/h1-2H,3H2

InChIKey

OBDLJTHEFWKHEB-UHFFFAOYSA-N

Compound name

2-chloro-1-(1,2-oxazol-3-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 193
Patents: 144.99306 Da
Monoisotopic Mass: 1.0
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]+	146.00034	123.7
[M+Na]+	167.98228	136.1
[M+NH4]+	163.02688	132.0
[M+K]+	183.95622	132.7
[M-H]-	143.98578	125.2
[M+Na-2H]-	165.96773	129.4
[M]+	144.99251	126.0
[M]-	144.99361	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe