CID 72218492

6,6-difluorobicyclo[3.1.0]hexan-3-one

Structural Information

Molecular Formula
C6H6F2O
SMILES
C1C2C(C2(F)F)CC1=O
InChI
InChI=1S/C6H6F2O/c7-6(8)4-1-3(9)2-5(4)6/h4-5H,1-2H2
InChIKey
YJHBCKLZZDQYMK-UHFFFAOYSA-N
Compound name
6,6-difluorobicyclo[3.1.0]hexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

132.03867 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04595 119.4
[M+Na]+ 155.02789 131.6
[M-H]- 131.03139 123.0
[M+NH4]+ 150.07249 141.3
[M+K]+ 171.00183 129.0
[M+H-H2O]+ 115.03593 114.1
[M+HCOO]- 177.03687 140.3
[M+CH3COO]- 191.05252 175.3
[M+Na-2H]- 153.01334 125.7
[M]+ 132.03812 119.4
[M]- 132.03922 119.4
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

patents stripe