CID 11263671

Ethyl 4-fluoro-3-oxopentanoate

Structural Information

Molecular Formula

C₇H₁₁FO₃

SMILES

CCOC(=O)CC(=O)C(C)F

InChI

InChI=1S/C7H11FO3/c1-3-11-7(10)4-6(9)5(2)8/h5H,3-4H2,1-2H3

InChIKey

MSCSCKJODSCXBI-UHFFFAOYSA-N

Compound name

ethyl 4-fluoro-3-oxopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 162.06923 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]+	163.07651	132.3
[M+Na]+	185.05845	139.1
[M-H]-	161.06195	131.3
[M+NH4]+	180.10305	152.9
[M+K]+	201.03239	139.8
[M+H-H2O]+	145.06649	126.8
[M+HCOO]-	207.06743	152.9
[M+CH3COO]-	221.08308	178.9
[M+Na-2H]-	183.04390	134.6
[M]+	162.06868	133.7
[M]-	162.06978	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe