CID 5376979

2',4'-dihydroxychalcone

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

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

InChI

InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+

InChIKey

JUMSUVHHUVPSOY-RMKNXTFCSA-N

Compound name

(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 75
References: 629
Patents: 240.07864 Da
Monoisotopic Mass: 3.5
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]+	241.08592	154.1
[M+Na]+	263.06786	167.9
[M+NH4]+	258.11246	161.5
[M+K]+	279.04180	161.0
[M-H]-	239.07136	157.1
[M+Na-2H]-	261.05331	162.0
[M]+	240.07809	156.8
[M]-	240.07919	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe