CID 10397

Ethyl 9-fluoro-3-oxononanoate

Structural Information

Molecular Formula

C₁₁H₁₉FO₃

SMILES

CCOC(=O)CC(=O)CCCCCCF

InChI

InChI=1S/C11H19FO3/c1-2-15-11(14)9-10(13)7-5-3-4-6-8-12/h2-9H2,1H3

InChIKey

LDELXTRDOWVUFX-UHFFFAOYSA-N

Compound name

ethyl 9-fluoro-3-oxononanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.13182 Da
Monoisotopic Mass: 2.2
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]+	219.13910	151.2
[M+Na]+	241.12104	156.6
[M-H]-	217.12454	149.3
[M+NH4]+	236.16564	169.6
[M+K]+	257.09498	155.7
[M+H-H2O]+	201.12908	144.7
[M+HCOO]-	263.13002	171.5
[M+CH3COO]-	277.14567	190.1
[M+Na-2H]-	239.10649	152.6
[M]+	218.13127	154.8
[M]-	218.13237	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.