CID 439528

Licodione

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

C1=CC(=CC=C1C(=O)CC(=O)C2=C(C=C(C=C2)O)O)O

InChI

InChI=1S/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-7,16-17,19H,8H2

InChIKey

QIEKMEBGIJSGGB-UHFFFAOYSA-N

Compound name

1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 61
Patents: 272.06848 Da
Monoisotopic Mass: 2.5
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]+	273.07576	159.9
[M+Na]+	295.05770	172.1
[M+NH4]+	290.10230	165.7
[M+K]+	311.03164	167.8
[M-H]-	271.06120	161.2
[M+Na-2H]-	293.04315	165.7
[M]+	272.06793	161.8
[M]-	272.06903	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe