CID 10021

Ethyl 9-fluorononanoate

Structural Information

Molecular Formula

C₁₁H₂₁FO₂

SMILES

CCOC(=O)CCCCCCCCF

InChI

InChI=1S/C11H21FO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3

InChIKey

DUWYUDWWVKOQOO-UHFFFAOYSA-N

Compound name

ethyl 9-fluorononanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.15256 Da
Monoisotopic Mass: 3.5
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]+	205.15984	149.6
[M+Na]+	227.14178	154.9
[M-H]-	203.14528	147.7
[M+NH4]+	222.18638	168.8
[M+K]+	243.11572	153.8
[M+H-H2O]+	187.14982	143.2
[M+HCOO]-	249.15076	170.5
[M+CH3COO]-	263.16641	188.2
[M+Na-2H]-	225.12723	152.2
[M]+	204.15201	153.1
[M]-	204.15311	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe