CID 578937

76802-61-4

Structural Information

Molecular Formula

C₁₇H₂₅F

SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H25F/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(18)13-11-16/h10-15H,2-9H2,1H3

InChIKey

VCIVJVKSOMDCMN-UHFFFAOYSA-N

Compound name

1-fluoro-4-(4-pentylcyclohexyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 248.19403 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]+	249.20131	160.6
[M+Na]+	271.18325	164.8
[M-H]-	247.18675	164.6
[M+NH4]+	266.22785	177.8
[M+K]+	287.15719	160.3
[M+H-H2O]+	231.19129	152.2
[M+HCOO]-	293.19223	178.6
[M+CH3COO]-	307.20788	197.1
[M+Na-2H]-	269.16870	161.9
[M]+	248.19348	156.0
[M]-	248.19458	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe