CID 5885438

Nsc636810

Structural Information

Molecular Formula

C₁₅H₁₂O₃

SMILES

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

InChI

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

InChIKey

KAMRNYCNWDARJA-CMDGGOBGSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
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]+	241.085916	152.6
[M+Na]+	263.067858	160.0
[M-H]-	239.071364	156.9
[M+NH4]+	258.112463	168.6
[M+K]+	279.041798	155.2
[M+H-H2O]+	223.075900	145.8
[M+HCOO]-	285.076841	173.7
[M+CH3COO]-	299.092491	187.0
[M+Na-2H]-	261.053306	156.6
[M]+	240.07809142	151.3
[M]-	240.07918858	151.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.