CID 9511

331-87-3

Structural Information

Molecular Formula

C₁₀H₁₉FO₂

SMILES

CCCCC(CC)COC(=O)CF

InChI

InChI=1S/C10H19FO2/c1-3-5-6-9(4-2)8-13-10(12)7-11/h9H,3-8H2,1-2H3

InChIKey

FDEKGWKFHSSZFD-UHFFFAOYSA-N

Compound name

2-ethylhexyl 2-fluoroacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.1369 Da
Monoisotopic Mass: 3.6
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]+	191.14418	145.4
[M+Na]+	213.12612	150.9
[M-H]-	189.12962	143.7
[M+NH4]+	208.17072	165.1
[M+K]+	229.10006	150.5
[M+H-H2O]+	173.13416	139.3
[M+HCOO]-	235.13510	165.5
[M+CH3COO]-	249.15075	186.0
[M+Na-2H]-	211.11157	147.2
[M]+	190.13635	147.8
[M]-	190.13745	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe