CID 72466213

5,5-difluorobicyclo[2.2.1]heptan-2-one

Structural Information

Molecular Formula
C7H8F2O
SMILES
C1C2CC(=O)C1CC2(F)F
InChI
InChI=1S/C7H8F2O/c8-7(9)3-4-1-5(7)2-6(4)10/h4-5H,1-3H2
InChIKey
VTTCLFDTPTVOED-UHFFFAOYSA-N
Compound name
5,5-difluorobicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.061596 125.9
[M+Na]+ 169.043538 135.9
[M-H]- 145.047044 126.9
[M+NH4]+ 164.088143 154.7
[M+K]+ 185.017478 133.5
[M+H-H2O]+ 129.051580 121.4
[M+HCOO]- 191.052521 146.2
[M+CH3COO]- 205.068171 174.0
[M+Na-2H]- 167.028986 130.2
[M]+ 146.05377142 122.4
[M]- 146.05486858 122.4
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.