CID 72218490

1393559-66-4

Structural Information

Molecular Formula
C7H8F2O
SMILES
C1CC(=O)CC2C1C2(F)F
InChI
InChI=1S/C7H8F2O/c8-7(9)5-2-1-4(10)3-6(5)7/h5-6H,1-3H2
InChIKey
SMWRHRFFXAVSBB-UHFFFAOYSA-N
Compound name
7,7-difluorobicyclo[4.1.0]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.05432 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.061596 125.2
[M+Na]+ 169.043538 136.2
[M-H]- 145.047044 128.6
[M+NH4]+ 164.088143 144.9
[M+K]+ 185.017478 134.0
[M+H-H2O]+ 129.051580 119.1
[M+HCOO]- 191.052521 143.9
[M+CH3COO]- 205.068171 178.4
[M+Na-2H]- 167.028986 132.1
[M]+ 146.05377142 123.6
[M]- 146.05486858 123.6
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

No patent data available for this compound.