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

1
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 117.1
[M+Na]+ 143.02789 126.2
[M-H]- 119.03139 118.5
[M+NH4]+ 138.07249 143.3
[M+K]+ 159.00183 125.3
[M+H-H2O]+ 103.03593 111.9
[M+HCOO]- 165.03687 139.1
[M+CH3COO]- 179.05252 167.4
[M+Na-2H]- 141.01334 122.6
[M]+ 120.03812 112.4
[M]- 120.03922 112.4
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