CID 13878455

Fp5pa

Structural Information

Molecular Formula

C₁₉H₁₉F

SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)F

InChI

InChI=1S/C19H19F/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-12-14-19(20)15-13-18/h6-9,12-15H,2-5H2,1H3

InChIKey

UIMDWUIMJPWFFY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 266.14706 Da
Monoisotopic Mass: 6.2
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]+	267.15434	163.7
[M+Na]+	289.13628	173.6
[M-H]-	265.13978	166.4
[M+NH4]+	284.18088	178.5
[M+K]+	305.11022	165.1
[M+H-H2O]+	249.14432	149.6
[M+HCOO]-	311.14526	179.8
[M+CH3COO]-	325.16091	205.3
[M+Na-2H]-	287.12173	166.1
[M]+	266.14651	157.9
[M]-	266.14761	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe