CID 11580

2-fluoroethyl 6-fluorohexanoate

Structural Information

Molecular Formula

C₈H₁₄F₂O₂

SMILES

C(CCC(=O)OCCF)CCF

InChI

InChI=1S/C8H14F2O2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7H2

InChIKey

PGJLRGDGBHMBSQ-UHFFFAOYSA-N

Compound name

2-fluoroethyl 6-fluorohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.09619 Da
Monoisotopic Mass: 1.8
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]+	181.10347	138.1
[M+Na]+	203.08541	144.6
[M-H]-	179.08891	135.2
[M+NH4]+	198.13001	158.1
[M+K]+	219.05935	143.9
[M+H-H2O]+	163.09345	131.2
[M+HCOO]-	225.09439	158.8
[M+CH3COO]-	239.11004	181.9
[M+Na-2H]-	201.07086	141.7
[M]+	180.09564	139.2
[M]-	180.09674	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.