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]+ 147.06160 125.9
[M+Na]+ 169.04354 135.9
[M-H]- 145.04704 126.9
[M+NH4]+ 164.08814 154.7
[M+K]+ 185.01748 133.5
[M+H-H2O]+ 129.05158 121.4
[M+HCOO]- 191.05252 146.2
[M+CH3COO]- 205.06817 174.0
[M+Na-2H]- 167.02899 130.2
[M]+ 146.05377 122.4
[M]- 146.05487 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.