CID 24721660

2'-methoxy-5'-(trifluoromethoxy)acetophenone

Structural Information

Molecular Formula
C10H9F3O3
SMILES
CC(=O)C1=C(C=CC(=C1)OC(F)(F)F)OC
InChI
InChI=1S/C10H9F3O3/c1-6(14)8-5-7(16-10(11,12)13)3-4-9(8)15-2/h3-5H,1-2H3
InChIKey
DQIRVWICHOCGCY-UHFFFAOYSA-N
Compound name
1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

234.05038 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.057656 143.9
[M+Na]+ 257.039598 153.3
[M-H]- 233.043104 144.3
[M+NH4]+ 252.084203 162.1
[M+K]+ 273.013538 151.8
[M+H-H2O]+ 217.047640 135.9
[M+HCOO]- 279.048581 163.3
[M+CH3COO]- 293.064231 190.6
[M+Na-2H]- 255.025046 148.0
[M]+ 234.04983142 143.8
[M]- 234.05092858 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