CID 89830

22767-90-4

Structural Information

Molecular Formula
C8H11F3O2
SMILES
CC(C)(C)C(=O)CC(=O)C(F)(F)F
InChI
InChI=1S/C8H11F3O2/c1-7(2,3)5(12)4-6(13)8(9,10)11/h4H2,1-3H3
InChIKey
BVPKYBMUQDZTJH-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1203
Patents

196.07112 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07840 136.8
[M+Na]+ 219.06034 144.6
[M-H]- 195.06384 133.6
[M+NH4]+ 214.10494 156.3
[M+K]+ 235.03428 144.1
[M+H-H2O]+ 179.06838 130.7
[M+HCOO]- 241.06932 152.7
[M+CH3COO]- 255.08497 184.6
[M+Na-2H]- 217.04579 140.4
[M]+ 196.07057 134.1
[M]- 196.07167 134.1
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.