CID 112756243

4-(difluoromethoxy)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H12F2O2
SMILES
C1CC(CCC1O)OC(F)F
InChI
InChI=1S/C7H12F2O2/c8-7(9)11-6-3-1-5(10)2-4-6/h5-7,10H,1-4H2
InChIKey
KVTXLPLGOPLCIA-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

166.08054 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08782 132.8
[M+Na]+ 189.06976 138.1
[M-H]- 165.07326 131.7
[M+NH4]+ 184.11436 152.4
[M+K]+ 205.04370 137.1
[M+H-H2O]+ 149.07780 125.9
[M+HCOO]- 211.07874 149.4
[M+CH3COO]- 225.09439 175.2
[M+Na-2H]- 187.05521 135.3
[M]+ 166.07999 126.0
[M]- 166.08109 126.0
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