CID 6477680

2-styrylchromone derivate, 2a

Structural Information

Molecular Formula

C₁₇H₁₂O₄

SMILES

C1=CC(=C2C(=C1)OC(=CC2=O)/C=C/C3=CC=C(C=C3)O)O

InChI

InChI=1S/C17H12O4/c18-12-7-4-11(5-8-12)6-9-13-10-15(20)17-14(19)2-1-3-16(17)21-13/h1-10,18-19H/b9-6+

InChIKey

VKEVOVCDIFHHPF-RMKNXTFCSA-N

Compound name

5-hydroxy-2-[(E)-2-(4-hydroxyphenyl)ethenyl]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 280.07355 Da
Monoisotopic Mass: 3.7
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]+	281.080826	160.9
[M+Na]+	303.062768	170.9
[M-H]-	279.066274	167.5
[M+NH4]+	298.107373	175.4
[M+K]+	319.036708	166.4
[M+H-H2O]+	263.070810	153.5
[M+HCOO]-	325.071751	181.2
[M+CH3COO]-	339.087401	173.2
[M+Na-2H]-	301.048216	167.5
[M]+	280.07300142	162.6
[M]-	280.07409858	162.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.