CID 80604617

1-(difluoromethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H12F2O
SMILES
C1CCC(CC1)(C(F)F)O
InChI
InChI=1S/C7H12F2O/c8-6(9)7(10)4-2-1-3-5-7/h6,10H,1-5H2
InChIKey
UEJMPWFQHMQDOV-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

150.08562 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09290 130.4
[M+Na]+ 173.07484 135.8
[M-H]- 149.07834 129.4
[M+NH4]+ 168.11944 152.4
[M+K]+ 189.04878 134.5
[M+H-H2O]+ 133.08288 124.4
[M+HCOO]- 195.08382 146.8
[M+CH3COO]- 209.09947 171.6
[M+Na-2H]- 171.06029 134.7
[M]+ 150.08507 122.0
[M]- 150.08617 122.0
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