CID 70700856

3,3-difluorocyclopentanone

Structural Information

Molecular Formula
C5H6F2O
SMILES
C1CC(CC1=O)(F)F
InChI
InChI=1S/C5H6F2O/c6-5(7)2-1-4(8)3-5/h1-3H2
InChIKey
OVABPUHVEPAZAL-UHFFFAOYSA-N
Compound name
3,3-difluorocyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.03867 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04595 125.3
[M+Na]+ 143.02789 134.1
[M+NH4]+ 138.07249 134.3
[M+K]+ 159.00183 128.5
[M-H]- 119.03139 123.6
[M+Na-2H]- 141.01334 130.1
[M]+ 120.03812 125.8
[M]- 120.03922 125.8
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.