CID 3033283

63977-33-3

Structural Information

Molecular Formula

C₁₂H₂₂F₂O₂

SMILES

CC(CCCCCCCC(=O)OCCF)F

InChI

InChI=1S/C12H22F2O2/c1-11(14)7-5-3-2-4-6-8-12(15)16-10-9-13/h11H,2-10H2,1H3

InChIKey

QBWJGVMACCYGNZ-UHFFFAOYSA-N

Compound name

2-fluoroethyl 9-fluorodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.15878 Da
Monoisotopic Mass: 3.9
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]+	237.16606	157.4
[M+Na]+	259.14800	162.1
[M-H]-	235.15150	153.9
[M+NH4]+	254.19260	175.1
[M+K]+	275.12194	160.6
[M+H-H2O]+	219.15604	149.8
[M+HCOO]-	281.15698	175.8
[M+CH3COO]-	295.17263	194.8
[M+Na-2H]-	257.13345	157.5
[M]+	236.15823	159.3
[M]-	236.15933	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.