CID 44085

62522-71-8

Structural Information

Molecular Formula

SMILES

CC(=O)OCC(=O)CF

InChI

InChI=1S/C5H7FO3/c1-4(7)9-3-5(8)2-6/h2-3H2,1H3

InChIKey

YKCRRYAIRGEYPO-UHFFFAOYSA-N

Compound name

(3-fluoro-2-oxopropyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 134.03792 Da
Monoisotopic Mass: 0.2
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]+	135.04520	126.1
[M+Na]+	157.02714	134.9
[M+NH4]+	152.07174	132.3
[M+K]+	173.00108	131.2
[M-H]-	133.03064	122.7
[M+Na-2H]-	155.01259	128.3
[M]+	134.03737	125.9
[M]-	134.03847	125.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.