CID 50990649

7,7-difluorobicyclo[4.1.0]heptan-2-ol

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1CC2C(C2(F)F)C(C1)O
InChI
InChI=1S/C7H10F2O/c8-7(9)4-2-1-3-5(10)6(4)7/h4-6,10H,1-3H2
InChIKey
GHDRQAQSUKXFLI-UHFFFAOYSA-N
Compound name
7,7-difluorobicyclo[4.1.0]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.077256 125.4
[M+Na]+ 171.059198 135.7
[M-H]- 147.062704 127.4
[M+NH4]+ 166.103803 144.5
[M+K]+ 187.033138 133.2
[M+H-H2O]+ 131.067240 119.6
[M+HCOO]- 193.068181 142.6
[M+CH3COO]- 207.083831 176.7
[M+Na-2H]- 169.044646 132.0
[M]+ 148.06943142 122.8
[M]- 148.07052858 122.8
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