CID 50989411

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

Structural Information

Molecular Formula
C7H8F2O
SMILES
C1CC2C(C2(F)F)C(=O)C1
InChI
InChI=1S/C7H8F2O/c8-7(9)4-2-1-3-5(10)6(4)7/h4,6H,1-3H2
InChIKey
ROGDHMVMJRRJEU-UHFFFAOYSA-N
Compound name
7,7-difluorobicyclo[4.1.0]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 125.2
[M+Na]+ 169.04354 136.2
[M-H]- 145.04704 128.6
[M+NH4]+ 164.08814 144.9
[M+K]+ 185.01748 134.0
[M+H-H2O]+ 129.05158 119.1
[M+HCOO]- 191.05252 143.9
[M+CH3COO]- 205.06817 178.4
[M+Na-2H]- 167.02899 132.1
[M]+ 146.05377 123.6
[M]- 146.05487 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.