CID 729354

121361-55-5

Structural Information

Molecular Formula

C₁₅H₁₄O₅

SMILES

COC1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C15H14O5/c1-19-11-3-5-12(6-4-11)20-9-15(18)13-7-2-10(16)8-14(13)17/h2-8,16-17H,9H2,1H3

InChIKey

GJESQJQIJJOFBG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 386
Patents: 274.08414 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.091416	159.1
[M+Na]+	297.073358	166.6
[M-H]-	273.076864	163.7
[M+NH4]+	292.117963	173.8
[M+K]+	313.047298	163.9
[M+H-H2O]+	257.081400	151.8
[M+HCOO]-	319.082341	180.3
[M+CH3COO]-	333.097991	194.0
[M+Na-2H]-	295.058806	162.5
[M]+	274.08359142	161.8
[M]-	274.08468858	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe