CID 3593493

2'-methoxy-4'-(trifluoromethoxy)acetophenone

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

234.05038 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05766 153.3
[M+Na]+ 257.03960 162.1
[M+NH4]+ 252.08420 158.0
[M+K]+ 273.01354 157.8
[M-H]- 233.04310 149.4
[M+Na-2H]- 255.02505 156.3
[M]+ 234.04983 153.1
[M]- 234.05093 153.1
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