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]+ 281.040696 150.4
[M+Na]+ 303.022638 158.4
[M-H]- 279.026144 145.1
[M+NH4]+ 298.067243 167.5
[M+K]+ 318.996578 155.9
[M+H-H2O]+ 263.030680 140.9
[M+HCOO]- 325.031621 160.3
[M+CH3COO]- 339.047271 196.9
[M+Na-2H]- 301.008086 151.6
[M]+ 280.03287142 138.7
[M]- 280.03396858 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.