PubChemLite - Robustaflavone (C30H18O10)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O

InChI

InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)23-11-22(37)29-26(39-23)12-20(35)27(30(29)38)17-7-14(3-6-18(17)33)24-10-21(36)28-19(34)8-16(32)9-25(28)40-24/h1-12,31-35,38H

InChIKey

BORWSEZUWHQTOK-UHFFFAOYSA-N

Compound name

6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-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]+	539.09728	231.3
[M+Na]+	561.07922	250.9
[M+NH4]+	556.12382	235.4
[M+K]+	577.05316	244.5
[M-H]-	537.08272	240.7
[M+Na-2H]-	559.06467	237.5
[M]+	538.08945	237.1
[M]-	538.09055	237.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.09728

231.3

[M+Na]+

561.07922

250.9

[M+NH4]+

556.12382

235.4

[M+K]+

577.05316

244.5

[M-H]-

537.08272

240.7

[M+Na-2H]-

559.06467

237.5

[M]+

538.08945

237.1

[M]-

538.09055

237.1

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

Robustaflavone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe