CID 10027

1-fluorooctane

Structural Information

Molecular Formula

C₈H₁₇F

SMILES

CCCCCCCCF

InChI

InChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

InChIKey

DHIVLKMGKIZOHF-UHFFFAOYSA-N

Compound name

1-fluorooctane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2174
Patents: 132.13142 Da
Monoisotopic Mass: 4.5
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]+	133.13870	130.1
[M+Na]+	155.12064	136.5
[M-H]-	131.12414	128.7
[M+NH4]+	150.16524	152.4
[M+K]+	171.09458	135.6
[M+H-H2O]+	115.12868	124.7
[M+HCOO]-	177.12962	152.2
[M+CH3COO]-	191.14527	176.3
[M+Na-2H]-	153.10609	135.7
[M]+	132.13087	131.0
[M]-	132.13197	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe