CID 44671

Ethyl 5-fluorohexanoate

Structural Information

Molecular Formula

C₈H₁₅FO₂

SMILES

CCOC(=O)CCCC(C)F

InChI

InChI=1S/C8H15FO2/c1-3-11-8(10)6-4-5-7(2)9/h7H,3-6H2,1-2H3

InChIKey

NPPLOQPYSBIGSI-UHFFFAOYSA-N

Compound name

ethyl 5-fluorohexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.1056 Da
Monoisotopic Mass: 1.9
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]+	163.11288	135.9
[M+Na]+	185.09482	142.3
[M-H]-	161.09832	134.6
[M+NH4]+	180.13942	156.8
[M+K]+	201.06876	142.4
[M+H-H2O]+	145.10286	130.2
[M+HCOO]-	207.10380	156.7
[M+CH3COO]-	221.11945	180.0
[M+Na-2H]-	183.08027	138.9
[M]+	162.10505	137.6
[M]-	162.10615	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.