CID 59328476

163129-13-3

Structural Information

Molecular Formula

C₁₇H₁₉F

SMILES

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

InChI

InChI=1S/C17H19F/c1-2-3-4-6-14-9-11-15(12-10-14)16-7-5-8-17(18)13-16/h5,7-13H,2-4,6H2,1H3

InChIKey

PSPWJVSNMASNSL-UHFFFAOYSA-N

Compound name

1-fluoro-3-(4-pentylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 242.14708 Da
Monoisotopic Mass: 6.1
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]+	243.15436	155.8
[M+Na]+	265.13630	163.1
[M-H]-	241.13980	160.9
[M+NH4]+	260.18090	173.5
[M+K]+	281.11024	158.0
[M+H-H2O]+	225.14434	147.4
[M+HCOO]-	287.14528	178.1
[M+CH3COO]-	301.16093	196.1
[M+Na-2H]-	263.12175	160.2
[M]+	242.14653	155.6
[M]-	242.14763	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe