CID 85058

15700-73-9

Structural Information

Molecular Formula
C8H8F6O3
SMILES
CC(=O)C(C(=O)C)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C8H8F6O3/c1-3(15)5(4(2)16)6(17,7(9,10)11)8(12,13)14/h5,17H,1-2H3
InChIKey
YWWBVUKXYSHFSO-UHFFFAOYSA-N
Compound name
3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.03775 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04503 146.0
[M+Na]+ 289.02697 153.5
[M-H]- 265.03047 137.6
[M+NH4]+ 284.07157 161.4
[M+K]+ 305.00091 152.4
[M+H-H2O]+ 249.03501 137.8
[M+HCOO]- 311.03595 154.9
[M+CH3COO]- 325.05160 194.1
[M+Na-2H]- 287.01242 147.5
[M]+ 266.03720 137.4
[M]- 266.03830 137.4
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

No patent data available for this compound.