CID 53395688

885275-81-0

Structural Information

Molecular Formula
C8H8F6O
SMILES
CC(=CC(=O)CC(F)(F)F)CC(F)(F)F
InChI
InChI=1S/C8H8F6O/c1-5(3-7(9,10)11)2-6(15)4-8(12,13)14/h2H,3-4H2,1H3
InChIKey
WJDQWIRUUMDSKH-UHFFFAOYSA-N
Compound name
1,1,1,7,7,7-hexafluoro-5-methylhept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

234.04793 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05521 142.8
[M+Na]+ 257.03715 150.8
[M-H]- 233.04065 135.5
[M+NH4]+ 252.08175 160.5
[M+K]+ 273.01109 148.5
[M+H-H2O]+ 217.04519 133.9
[M+HCOO]- 279.04613 155.2
[M+CH3COO]- 293.06178 190.7
[M+Na-2H]- 255.02260 144.4
[M]+ 234.04738 134.5
[M]- 234.04848 134.5
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.