CID 20433522

5mefb

Structural Information

Molecular Formula

C₁₈H₂₁F

SMILES

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

InChI

InChI=1S/C18H21F/c1-3-4-5-6-15-8-10-16(11-9-15)17-12-7-14(2)13-18(17)19/h7-13H,3-6H2,1-2H3

InChIKey

NWFGDIORPZOGSJ-UHFFFAOYSA-N

Compound name

2-fluoro-4-methyl-1-(4-pentylphenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 256.16272 Da
Monoisotopic Mass: 6.4
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]+	257.17000	160.0
[M+Na]+	279.15194	167.9
[M-H]-	255.15544	165.3
[M+NH4]+	274.19654	177.5
[M+K]+	295.12588	162.6
[M+H-H2O]+	239.15998	151.6
[M+HCOO]-	301.16092	182.0
[M+CH3COO]-	315.17657	200.2
[M+Na-2H]-	277.13739	163.2
[M]+	256.16217	160.6
[M]-	256.16327	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe