CID 122199286

2-((2-fluorocyclohexyl)oxy)cyclohexan-1-ol

Structural Information

Molecular Formula
C12H21FO2
SMILES
C1CCC(C(C1)O)OC2CCCCC2F
InChI
InChI=1S/C12H21FO2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h9-12,14H,1-8H2
InChIKey
OYSGJECOTLVDRJ-UHFFFAOYSA-N
Compound name
2-(2-fluorocyclohexyl)oxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.15256 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15984 150.5
[M+Na]+ 239.14178 153.1
[M-H]- 215.14528 152.9
[M+NH4]+ 234.18638 167.9
[M+K]+ 255.11572 150.8
[M+H-H2O]+ 199.14982 143.0
[M+HCOO]- 261.15076 164.7
[M+CH3COO]- 275.16641 184.6
[M+Na-2H]- 237.12723 151.0
[M]+ 216.15201 140.9
[M]- 216.15311 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.