CID 15019846

141478-83-3

Structural Information

Molecular Formula
C9H7F7O2
SMILES
C1CC(C(=O)C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C9H7F7O2/c10-7(11,8(12,13)9(14,15)16)6(18)4-2-1-3-5(4)17/h4H,1-3H2
InChIKey
WIUSQJBYVPBFHT-UHFFFAOYSA-N
Compound name
2-(2,2,3,3,4,4,4-heptafluorobutanoyl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

280.03342 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.04070 150.4
[M+Na]+ 303.02264 158.4
[M-H]- 279.02614 145.1
[M+NH4]+ 298.06724 167.5
[M+K]+ 318.99658 155.9
[M+H-H2O]+ 263.03068 140.9
[M+HCOO]- 325.03162 160.3
[M+CH3COO]- 339.04727 196.9
[M+Na-2H]- 301.00809 151.6
[M]+ 280.03287 138.7
[M]- 280.03397 138.7
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.