CID 12756970

1,1-difluoro-5,5-dimethyl-1-(trifluoromethoxy)hexane-2,4-dione

Structural Information

Molecular Formula
C9H11F5O3
SMILES
CC(C)(C)C(=O)CC(=O)C(OC(F)(F)F)(F)F
InChI
InChI=1S/C9H11F5O3/c1-7(2,3)5(15)4-6(16)8(10,11)17-9(12,13)14/h4H2,1-3H3
InChIKey
MMQBZJXQJGQEHQ-UHFFFAOYSA-N
Compound name
1,1-difluoro-5,5-dimethyl-1-(trifluoromethoxy)hexane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.06284 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.07012 148.7
[M+Na]+ 285.05206 156.4
[M-H]- 261.05556 142.8
[M+NH4]+ 280.09666 165.3
[M+K]+ 301.02600 155.9
[M+H-H2O]+ 245.06010 140.9
[M+HCOO]- 307.06104 160.8
[M+CH3COO]- 321.07669 195.9
[M+Na-2H]- 283.03751 151.9
[M]+ 262.06229 144.5
[M]- 262.06339 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.