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]+	146.000336	123.8
[M+Na]+	167.982278	133.5
[M-H]-	143.985784	126.8
[M+NH4]+	163.026883	145.0
[M+K]+	183.956218	132.5
[M+H-H2O]+	127.990320	118.6
[M+HCOO]-	189.991261	143.0
[M+CH3COO]-	204.006911	169.8
[M+Na-2H]-	165.967726	130.8
[M]+	144.99251142	127.2
[M]-	144.99360858	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe