CID 68052207

4-(difluoromethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H12F2O
SMILES
C1CC(CCC1C(F)F)O
InChI
InChI=1S/C7H12F2O/c8-7(9)5-1-3-6(10)4-2-5/h5-7,10H,1-4H2
InChIKey
ROILISFRTKDLLD-UHFFFAOYSA-N
Compound name
4-(difluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

150.08562 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 129.7
[M+Na]+ 173.07484 135.2
[M-H]- 149.07834 128.7
[M+NH4]+ 168.11944 150.1
[M+K]+ 189.04878 133.7
[M+H-H2O]+ 133.08288 123.1
[M+HCOO]- 195.08382 146.1
[M+CH3COO]- 209.09947 173.2
[M+Na-2H]- 171.06029 132.3
[M]+ 150.08507 121.5
[M]- 150.08617 121.5
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