PubChemLite - Schembl617273 (C30H18O10)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)OC4=CC=C(C=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O

InChI

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

InChIKey

DFAXUEHGJFANJA-UHFFFAOYSA-N

Compound name

7-[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenoxy]-5,8-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	228.8
[M+Na]+	561.07922	238.8
[M-H]-	537.08272	240.6
[M+NH4]+	556.12382	229.2
[M+K]+	577.05316	238.1
[M+H-H2O]+	521.08726	215.5
[M+HCOO]-	583.08820	241.5
[M+CH3COO]-	597.10385	236.1
[M+Na-2H]-	559.06467	231.3
[M]+	538.08945	235.6
[M]-	538.09055	235.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.09728

228.8

[M+Na]+

561.07922

238.8

[M-H]-

537.08272

240.6

[M+NH4]+

556.12382

229.2

[M+K]+

577.05316

238.1

[M+H-H2O]+

521.08726

215.5

[M+HCOO]-

583.08820

241.5

[M+CH3COO]-

597.10385

236.1

[M+Na-2H]-

559.06467

231.3

[M]+

538.08945

235.6

[M]-

538.09055

235.6

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

Schembl617273

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe