CID 6917202

2-(2,2,2-trifluoroacetyl)cyclopentanone

Structural Information

Molecular Formula
C7H7F3O2
SMILES
C1CC(C(=O)C1)C(=O)C(F)(F)F
InChI
InChI=1S/C7H7F3O2/c8-7(9,10)6(12)4-2-1-3-5(4)11/h4H,1-3H2
InChIKey
UWMPYUXPRBDDNF-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroacetyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

180.03981 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04709 131.8
[M+Na]+ 203.02903 139.7
[M-H]- 179.03253 131.5
[M+NH4]+ 198.07363 153.4
[M+K]+ 219.00297 138.4
[M+H-H2O]+ 163.03707 125.1
[M+HCOO]- 225.03801 149.9
[M+CH3COO]- 239.05366 178.2
[M+Na-2H]- 201.01448 134.1
[M]+ 180.03926 125.8
[M]- 180.04036 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

literature stripe

Patent stripe

patents stripe