CID 4498085

586369-93-9

Structural Information

Molecular Formula
C11H11F3O
SMILES
CC(C)C(=O)C1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C11H11F3O/c1-7(2)10(15)8-4-3-5-9(6-8)11(12,13)14/h3-7H,1-2H3
InChIKey
OSZRQYTWONOZBA-UHFFFAOYSA-N
Compound name
2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

216.0762 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.08348 142.4
[M+Na]+ 239.06542 150.4
[M-H]- 215.06892 142.4
[M+NH4]+ 234.11002 161.1
[M+K]+ 255.03936 148.0
[M+H-H2O]+ 199.07346 134.6
[M+HCOO]- 261.07440 160.0
[M+CH3COO]- 275.09005 189.3
[M+Na-2H]- 237.05087 145.4
[M]+ 216.07565 138.8
[M]- 216.07675 138.8
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.