CID 2758493

300374-83-8

Structural Information

Molecular Formula
C10H9F3O3
SMILES
COC1=C(C=C(C=C1)C(=O)C(F)(F)F)OC
InChI
InChI=1S/C10H9F3O3/c1-15-7-4-3-6(5-8(7)16-2)9(14)10(11,12)13/h3-5H,1-2H3
InChIKey
YFISYXOGMSGFRE-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2,2,2-trifluoroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

470
Patents

234.05038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05766 143.9
[M+Na]+ 257.03960 153.3
[M-H]- 233.04310 144.3
[M+NH4]+ 252.08420 162.1
[M+K]+ 273.01354 151.8
[M+H-H2O]+ 217.04764 135.9
[M+HCOO]- 279.04858 163.3
[M+CH3COO]- 293.06423 190.6
[M+Na-2H]- 255.02505 148.0
[M]+ 234.04983 143.8
[M]- 234.05093 143.8
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

patents stripe