CID 58950950

2,2-difluorocyclopentan-1-one

Structural Information

Molecular Formula
C5H6F2O
SMILES
C1CC(=O)C(C1)(F)F
InChI
InChI=1S/C5H6F2O/c6-5(7)3-1-2-4(5)8/h1-3H2
InChIKey
CQIJELIGXJMXCE-UHFFFAOYSA-N
Compound name
2,2-difluorocyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

120.03867 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe