CID 261544

1-(4-fluorophenyl)cyclohexanol

Structural Information

Molecular Formula
C12H15FO
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)F)O
InChI
InChI=1S/C12H15FO/c13-11-6-4-10(5-7-11)12(14)8-2-1-3-9-12/h4-7,14H,1-3,8-9H2
InChIKey
AQUBFIGZUKRAOL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

194.11069 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe