CID 11008259

1-cyclohexyl-2,2-difluoroethan-1-ol

Structural Information

Molecular Formula
C8H14F2O
SMILES
C1CCC(CC1)C(C(F)F)O
InChI
InChI=1S/C8H14F2O/c9-8(10)7(11)6-4-2-1-3-5-6/h6-8,11H,1-5H2
InChIKey
XQWBMOVANRFWLI-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2,2-difluoroethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.10127 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.108546 135.2
[M+Na]+ 187.090488 139.0
[M-H]- 163.093994 133.7
[M+NH4]+ 182.135093 154.6
[M+K]+ 203.064428 137.7
[M+H-H2O]+ 147.098530 128.2
[M+HCOO]- 209.099471 150.3
[M+CH3COO]- 223.115121 176.0
[M+Na-2H]- 185.075936 136.6
[M]+ 164.10072142 126.3
[M]- 164.10181858 126.3
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.