CID 2802229

1496-35-1

Structural Information

Molecular Formula

C₁₂H₁₅FO

SMILES

C1CCC(CC1)(C2=CC(=CC=C2)F)O

InChI

InChI=1S/C12H15FO/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9,14H,1-3,7-8H2

InChIKey

PQSFDHKUPBPVLK-UHFFFAOYSA-N

Compound name

1-(3-fluorophenyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 194.11069 Da
Monoisotopic Mass: 2.7
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]+	195.11797	142.4
[M+Na]+	217.09991	148.4
[M-H]-	193.10341	146.0
[M+NH4]+	212.14451	162.8
[M+K]+	233.07385	145.0
[M+H-H2O]+	177.10795	135.5
[M+HCOO]-	239.10889	160.9
[M+CH3COO]-	253.12454	179.8
[M+Na-2H]-	215.08536	147.7
[M]+	194.11014	135.6
[M]-	194.11124	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe