CID 69303179

2,2-difluorocyclohexan-1-ol

Structural Information

Molecular Formula
C6H10F2O
SMILES
C1CCC(C(C1)O)(F)F
InChI
InChI=1S/C6H10F2O/c7-6(8)4-2-1-3-5(6)9/h5,9H,1-4H2
InChIKey
ZSXZEFJVQNNWLJ-UHFFFAOYSA-N
Compound name
2,2-difluorocyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

136.06998 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.077256 124.5
[M+Na]+ 159.059198 131.6
[M-H]- 135.062704 124.1
[M+NH4]+ 154.103803 147.6
[M+K]+ 175.033138 130.1
[M+H-H2O]+ 119.067240 118.9
[M+HCOO]- 181.068181 142.3
[M+CH3COO]- 195.083831 168.9
[M+Na-2H]- 157.044646 130.1
[M]+ 136.06943142 116.9
[M]- 136.07052858 116.9
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

patents stripe