CID 9616

8-fluorooctanoic acid

Structural Information

Molecular Formula

C₈H₁₅FO₂

SMILES

C(CCCC(=O)O)CCCF

InChI

InChI=1S/C8H15FO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)

InChIKey

SAEPUDOYZJDXEX-UHFFFAOYSA-N

Compound name

8-fluorooctanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 99
Patents: 162.1056 Da
Monoisotopic Mass: 0.9
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	136.9
[M+Na]+	185.09482	145.3
[M+NH4]+	180.13942	143.2
[M+K]+	201.06876	140.0
[M-H]-	161.09832	133.9
[M+Na-2H]-	183.08027	138.7
[M]+	162.10505	136.8
[M]-	162.10615	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe