CID 9858

18-fluorooctadecanoic acid

Structural Information

Molecular Formula

C₁₈H₃₅FO₂

SMILES

C(CCCCCCCCC(=O)O)CCCCCCCCF

InChI

InChI=1S/C18H35FO2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-17H2,(H,20,21)

InChIKey

GYUYQQCJINXTSG-UHFFFAOYSA-N

Compound name

18-fluorooctadecanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 60
Patents: 302.26212 Da
Monoisotopic Mass: 6.3
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]+	303.26940	181.8
[M+Na]+	325.25134	183.6
[M-H]-	301.25484	177.0
[M+NH4]+	320.29594	196.2
[M+K]+	341.22528	179.7
[M+H-H2O]+	285.25938	174.2
[M+HCOO]-	347.26032	198.7
[M+CH3COO]-	361.27597	207.1
[M+Na-2H]-	323.23679	180.0
[M]+	302.26157	186.1
[M]-	302.26267	186.1

Literature stripe

literature stripe

Patent stripe

patents stripe