CID 854223

2-(4-methoxyphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone

Structural Information

Molecular Formula
C15H14O6
SMILES
COC1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C15H14O6/c1-20-10-2-4-11(5-3-10)21-8-14(19)15-12(17)6-9(16)7-13(15)18/h2-7,16-18H,8H2,1H3
InChIKey
QLLVOARUJQIBCX-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)-1-(2,4,6-trihydroxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

290.07904 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 161.9
[M+Na]+ 313.06826 169.6
[M-H]- 289.07176 165.4
[M+NH4]+ 308.11286 175.4
[M+K]+ 329.04220 166.9
[M+H-H2O]+ 273.07630 154.7
[M+HCOO]- 335.07724 181.7
[M+CH3COO]- 349.09289 195.4
[M+Na-2H]- 311.05371 164.2
[M]+ 290.07849 164.6
[M]- 290.07959 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe