CID 293429

102129-09-9

Structural Information

Molecular Formula
C8H6F6O2
SMILES
CC1=CC(=O)CC(O1)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8H6F6O2/c1-4-2-5(15)3-6(16-4,7(9,10)11)8(12,13)14/h2H,3H2,1H3
InChIKey
OWKJWVUQEZJKIN-UHFFFAOYSA-N
Compound name
6-methyl-2,2-bis(trifluoromethyl)-3H-pyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.02719 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03447 142.8
[M+Na]+ 271.01641 153.0
[M-H]- 247.01991 140.1
[M+NH4]+ 266.06101 161.0
[M+K]+ 286.99035 151.9
[M+H-H2O]+ 231.02445 134.2
[M+HCOO]- 293.02539 155.0
[M+CH3COO]- 307.04104 190.6
[M+Na-2H]- 269.00186 148.7
[M]+ 248.02664 134.7
[M]- 248.02774 134.7
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.