CID 84644

121012-89-3

Structural Information

Molecular Formula
C5H2F6O2
SMILES
C(=C(C(F)(F)F)O)C(=O)C(F)(F)F
InChI
InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1,12H
InChIKey
ZUSKFDORJCVUSD-UHFFFAOYSA-N
Compound name
1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

803
Patents

207.9959 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.003176 132.0
[M+Na]+ 230.985118 140.7
[M-H]- 206.988624 123.8
[M+NH4]+ 226.029723 149.9
[M+K]+ 246.959058 138.8
[M+H-H2O]+ 190.993160 123.7
[M+HCOO]- 252.994101 144.1
[M+CH3COO]- 267.009751 181.1
[M+Na-2H]- 228.970566 134.8
[M]+ 207.99535142 122.1
[M]- 207.99644858 122.1
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.