CID 905641

1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenoxy)ethanone

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=CC(=CC=C1)OCC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H14O5/c1-19-11-3-2-4-12(8-11)20-9-15(18)13-6-5-10(16)7-14(13)17/h2-8,16-17H,9H2,1H3
InChIKey
ZCHQGGGXYNOBNW-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

274.08414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 160.6
[M+Na]+ 297.07336 173.7
[M+NH4]+ 292.11796 167.1
[M+K]+ 313.04730 168.3
[M-H]- 273.07686 162.8
[M+Na-2H]- 295.05881 167.4
[M]+ 274.08359 162.9
[M]- 274.08469 162.9
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

No patent data available for this compound.