CID 11408

583-16-4

Structural Information

Molecular Formula

C₁₂H₁₅FO₂

SMILES

C1=CC=C(C=C1)C(=O)OCCCCCF

InChI

InChI=1S/C12H15FO2/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2

InChIKey

VBUBHKGSNQYAIR-UHFFFAOYSA-N

Compound name

5-fluoropentyl benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 210.1056 Da
Monoisotopic Mass: 4.0
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]+	211.11288	148.1
[M+Na]+	233.09482	159.2
[M+NH4]+	228.13942	155.4
[M+K]+	249.06876	152.1
[M-H]-	209.09832	148.3
[M+Na-2H]-	231.08027	153.8
[M]+	210.10505	149.5
[M]-	210.10615	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.