CID 5312955

Fluoro-oleic acid

Structural Information

Molecular Formula

C₁₈H₃₃FO₂

SMILES

C(CCCCF)CCC/C=C\CCCCCCCC(=O)O

InChI

InChI=1S/C18H33FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2H,3-17H2,(H,20,21)/b2-1-

InChIKey

XZCKFYWUUUBKNC-UPHRSURJSA-N

Compound name

(Z)-18-fluorooctadec-9-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 300.24646 Da
Monoisotopic Mass: 6.7
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]+	301.25374	180.3
[M+Na]+	323.23568	182.6
[M-H]-	299.23918	175.6
[M+NH4]+	318.28028	194.8
[M+K]+	339.20962	178.0
[M+H-H2O]+	283.24372	172.8
[M+HCOO]-	345.24466	197.5
[M+CH3COO]-	359.26031	205.6
[M+Na-2H]-	321.22113	178.6
[M]+	300.24591	183.8
[M]-	300.24701	183.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.