CID 9730

2-fluoroethyl gamma-fluorobutyrate

Structural Information

Molecular Formula

C₆H₁₀F₂O₂

SMILES

C(CC(=O)OCCF)CF

InChI

InChI=1S/C6H10F2O2/c7-3-1-2-6(9)10-5-4-8/h1-5H2

InChIKey

QNCFYCXLBKFOLB-UHFFFAOYSA-N

Compound name

2-fluoroethyl 4-fluorobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 152.06488 Da
Monoisotopic Mass: 1.1
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]+	153.072156	128.6
[M+Na]+	175.054098	136.0
[M-H]-	151.057604	126.2
[M+NH4]+	170.098703	149.8
[M+K]+	191.028038	135.8
[M+H-H2O]+	135.062140	122.2
[M+HCOO]-	197.063081	150.0
[M+CH3COO]-	211.078731	175.9
[M+Na-2H]-	173.039546	133.3
[M]+	152.06433142	129.0
[M]-	152.06542858	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe