CID 9448219

3,3'-dihydroxychalcone

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

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

InChI

InChI=1S/C15H12O3/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-10,16-17H/b8-7+

InChIKey

UALHWTHYPDBXSN-BQYQJAHWSA-N

Compound name

(E)-1,3-bis(3-hydroxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 240.07864 Da
Monoisotopic Mass: 3.0
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]+	241.08592	152.6
[M+Na]+	263.06786	160.0
[M-H]-	239.07136	156.9
[M+NH4]+	258.11246	168.6
[M+K]+	279.04180	155.2
[M+H-H2O]+	223.07590	145.8
[M+HCOO]-	285.07684	173.7
[M+CH3COO]-	299.09249	187.0
[M+Na-2H]-	261.05331	156.6
[M]+	240.07809	151.3
[M]-	240.07919	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe