CID 944619

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

Structural Information

Molecular Formula
C15H14O5
SMILES
COC1=CC=CC=C1OCC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H14O5/c1-19-14-4-2-3-5-15(14)20-9-13(18)11-7-6-10(16)8-12(11)17/h2-8,16-17H,9H2,1H3
InChIKey
MXHGJBZYDIITOO-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-2-(2-methoxyphenoxy)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

274.08414 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.1
[M+Na]+ 297.07336 166.6
[M-H]- 273.07686 163.7
[M+NH4]+ 292.11796 173.8
[M+K]+ 313.04730 163.9
[M+H-H2O]+ 257.08140 151.8
[M+HCOO]- 319.08234 180.3
[M+CH3COO]- 333.09799 194.0
[M+Na-2H]- 295.05881 162.5
[M]+ 274.08359 161.8
[M]- 274.08469 161.8
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.