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]+ 149.07726 125.4
[M+Na]+ 171.05920 135.7
[M-H]- 147.06270 127.4
[M+NH4]+ 166.10380 144.5
[M+K]+ 187.03314 133.2
[M+H-H2O]+ 131.06724 119.6
[M+HCOO]- 193.06818 142.6
[M+CH3COO]- 207.08383 176.7
[M+Na-2H]- 169.04465 132.0
[M]+ 148.06943 122.8
[M]- 148.07053 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