CID 2774932

3h-heptafluoropentane-2,4-dione

Structural Information

Molecular Formula
C5HF7O2
SMILES
C(C(=O)C(F)(F)F)(C(=O)C(F)(F)F)F
InChI
InChI=1S/C5HF7O2/c6-1(2(13)4(7,8)9)3(14)5(10,11)12/h1H
InChIKey
GRHYFDZMGZYXAP-UHFFFAOYSA-N
Compound name
1,1,1,3,5,5,5-heptafluoropentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

445
Patents

225.98648 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99376 133.3
[M+Na]+ 248.97570 142.2
[M-H]- 224.97920 125.3
[M+NH4]+ 244.02030 150.9
[M+K]+ 264.94964 141.2
[M+H-H2O]+ 208.98374 123.9
[M+HCOO]- 270.98468 144.9
[M+CH3COO]- 285.00033 188.3
[M+Na-2H]- 246.96115 134.9
[M]+ 225.98593 123.4
[M]- 225.98703 123.4
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