PubChemLite - Talbotaflavone (C30H20O10)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O

InChI

InChI=1S/C30H20O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,27,29,31-36H

InChIKey

YOGANETYFUQWIM-UHFFFAOYSA-N

Compound name

8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

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]+	541.11293	229.5
[M+Na]+	563.09487	237.3
[M-H]-	539.09837	239.2
[M+NH4]+	558.13947	229.2
[M+K]+	579.06881	236.3
[M+H-H2O]+	523.10291	217.1
[M+HCOO]-	585.10385	236.8
[M+CH3COO]-	599.11950	235.2
[M+Na-2H]-	561.08032	228.8
[M]+	540.10510	231.6
[M]-	540.10620	231.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

541.11293

229.5

[M+Na]+

563.09487

237.3

[M-H]-

539.09837

239.2

[M+NH4]+

558.13947

229.2

[M+K]+

579.06881

236.3

[M+H-H2O]+

523.10291

217.1

[M+HCOO]-

585.10385

236.8

[M+CH3COO]-

599.11950

235.2

[M+Na-2H]-

561.08032

228.8

[M]+

540.10510

231.6

[M]-

540.10620

231.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Talbotaflavone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe