CID 107441

Dtxsid001255612

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

C1=CC(=CC=C1C=CC(=O)C=CC2=CC=C(C=C2)O)O

InChI

InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H

InChIKey

FTEGUKWEUQPKIS-UHFFFAOYSA-N

Compound name

1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 247
Patents: 266.0943 Da
Monoisotopic Mass: 3.4
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]+	267.10158	160.8
[M+Na]+	289.08352	167.7
[M-H]-	265.08702	164.8
[M+NH4]+	284.12812	175.8
[M+K]+	305.05746	161.8
[M+H-H2O]+	249.09156	153.7
[M+HCOO]-	311.09250	181.4
[M+CH3COO]-	325.10815	191.6
[M+Na-2H]-	287.06897	163.7
[M]+	266.09375	159.4
[M]-	266.09485	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe