CID 520521

313-56-4

Structural Information

Molecular Formula
C11H11F3O
SMILES
CC1=CC(=C(C(=C1)C)C(=O)C(F)(F)F)C
InChI
InChI=1S/C11H11F3O/c1-6-4-7(2)9(8(3)5-6)10(15)11(12,13)14/h4-5H,1-3H3
InChIKey
VINRTVDNUHIWCB-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

369
Patents

216.0762 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08348 140.9
[M+Na]+ 239.06542 151.0
[M-H]- 215.06892 141.6
[M+NH4]+ 234.11002 160.3
[M+K]+ 255.03936 148.3
[M+H-H2O]+ 199.07346 133.6
[M+HCOO]- 261.07440 159.5
[M+CH3COO]- 275.09005 190.8
[M+Na-2H]- 237.05087 143.8
[M]+ 216.07565 138.7
[M]- 216.07675 138.7
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.