CID 9517

332-94-5

Structural Information

Molecular Formula

C₁₀H₁₈F₂O₂

SMILES

C(CCCC(=O)OCCF)CCCF

InChI

InChI=1S/C10H18F2O2/c11-7-5-3-1-2-4-6-10(13)14-9-8-12/h1-9H2

InChIKey

GLVASOHGDUAMMM-UHFFFAOYSA-N

Compound name

2-fluoroethyl 8-fluorooctanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.12749 Da
Monoisotopic Mass: 2.9
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]+	209.13477	147.5
[M+Na]+	231.11671	153.2
[M-H]-	207.12021	144.2
[M+NH4]+	226.16131	166.4
[M+K]+	247.09065	151.9
[M+H-H2O]+	191.12475	140.2
[M+HCOO]-	253.12569	167.5
[M+CH3COO]-	267.14134	188.0
[M+Na-2H]-	229.10216	150.0
[M]+	208.12694	149.3
[M]-	208.12804	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.