CID 586491

2',4'-dihydroxydihydrochalcone

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

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

InChI

InChI=1S/C15H14O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,16,18H,6,9H2

InChIKey

ZUKLXLKVCGZHAA-UHFFFAOYSA-N

Compound name

1-(2,4-dihydroxyphenyl)-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 404
Patents: 242.0943 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]+	243.10158	153.6
[M+Na]+	265.08352	160.6
[M-H]-	241.08702	157.8
[M+NH4]+	260.12812	169.5
[M+K]+	281.05746	156.4
[M+H-H2O]+	225.09156	146.7
[M+HCOO]-	287.09250	174.5
[M+CH3COO]-	301.10815	188.4
[M+Na-2H]-	263.06897	157.6
[M]+	242.09375	153.0
[M]-	242.09485	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe