CID 15651728

135707-05-0

Structural Information

Molecular Formula
C5H2F6O2
SMILES
C(=C(/C(=O)C(F)(F)F)\O)\C(F)(F)F
InChI
InChI=1S/C5H2F6O2/c6-4(7,8)1-2(12)3(13)5(9,10)11/h1,12H/b2-1-
InChIKey
VHKNCYFFDZVLQR-UPHRSURJSA-N
Compound name
(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.9959 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.00318 132.0
[M+Na]+ 230.98512 140.7
[M-H]- 206.98862 123.8
[M+NH4]+ 226.02972 149.9
[M+K]+ 246.95906 138.8
[M+H-H2O]+ 190.99316 123.7
[M+HCOO]- 252.99410 144.1
[M+CH3COO]- 267.00975 181.1
[M+Na-2H]- 228.97057 134.8
[M]+ 207.99535 122.1
[M]- 207.99645 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.