CID 606881

2,2,2-trifluoro-2',4',6'-trimethoxyacetophenone

Structural Information

Molecular Formula
C11H11F3O4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)C(F)(F)F)OC
InChI
InChI=1S/C11H11F3O4/c1-16-6-4-7(17-2)9(8(5-6)18-3)10(15)11(12,13)14/h4-5H,1-3H3
InChIKey
XZJWOAIELBEOPH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

264.06094 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06822 150.8
[M+Na]+ 287.05016 160.6
[M-H]- 263.05366 151.4
[M+NH4]+ 282.09476 168.0
[M+K]+ 303.02410 159.5
[M+H-H2O]+ 247.05820 142.7
[M+HCOO]- 309.05914 170.1
[M+CH3COO]- 323.07479 196.9
[M+Na-2H]- 285.03561 153.9
[M]+ 264.06039 153.0
[M]- 264.06149 153.0
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