CID 22089476

145698-32-4

Structural Information

Molecular Formula

C₁₇H₁₅F

SMILES

CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)F

InChI

InChI=1S/C17H15F/c1-2-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18)13-11-16/h4-7,10-13H,2-3H2,1H3

InChIKey

VQFRZGGKKHHZML-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 238.11578 Da
Monoisotopic Mass: 5.4
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]+	239.12306	155.7
[M+Na]+	261.10500	166.4
[M-H]-	237.10850	158.8
[M+NH4]+	256.14960	171.5
[M+K]+	277.07894	158.4
[M+H-H2O]+	221.11304	141.9
[M+HCOO]-	283.11398	172.4
[M+CH3COO]-	297.12963	200.0
[M+Na-2H]-	259.09045	159.0
[M]+	238.11523	149.2
[M]-	238.11633	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe