CID 23391111

Fp6pa

Structural Information

Molecular Formula

C₂₀H₂₁F

SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)F

InChI

InChI=1S/C20H21F/c1-2-3-4-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(21)16-14-19/h7-10,13-16H,2-6H2,1H3

InChIKey

FFMQSWYNMZRGQU-UHFFFAOYSA-N

Compound name

1-fluoro-4-[2-(4-hexylphenyl)ethynyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 280.16272 Da
Monoisotopic Mass: 7.0
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]+	281.17000	167.7
[M+Na]+	303.15194	177.2
[M-H]-	279.15544	170.3
[M+NH4]+	298.19654	182.0
[M+K]+	319.12588	168.5
[M+H-H2O]+	263.15998	153.4
[M+HCOO]-	325.16092	183.5
[M+CH3COO]-	339.17657	208.0
[M+Na-2H]-	301.13739	169.5
[M]+	280.16217	162.2
[M]-	280.16327	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe