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	122.8
[M+Na]+	157.02714	130.6
[M-H]-	133.03064	122.1
[M+NH4]+	152.07174	144.6
[M+K]+	173.00108	131.4
[M+H-H2O]+	117.03518	117.6
[M+HCOO]-	179.03612	145.1
[M+CH3COO]-	193.05177	172.0
[M+Na-2H]-	155.01259	127.5
[M]+	134.03737	124.1
[M]-	134.03847	124.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.