6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one (C30H18O10)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C5=C(C=C4O)OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O

InChI

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

InChIKey

KNOJWNDGCRZBBA-UHFFFAOYSA-N

Compound name

6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-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]+	539.097276	230.2
[M+Na]+	561.079218	240.5
[M-H]-	537.082724	241.2
[M+NH4]+	556.123823	230.2
[M+K]+	577.053158	239.5
[M+H-H2O]+	521.087260	217.3
[M+HCOO]-	583.088201	241.4
[M+CH3COO]-	597.103851	237.2
[M+Na-2H]-	559.064666	231.6
[M]+	538.08945142	236.1
[M]-	538.09054858	236.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.097276

230.2

[M+Na]+

561.079218

240.5

[M-H]-

537.082724

241.2

[M+NH4]+

556.123823

230.2

[M+K]+

577.053158

239.5

[M+H-H2O]+

521.087260

217.3

[M+HCOO]-

583.088201

241.4

[M+CH3COO]-

597.103851

237.2

[M+Na-2H]-

559.064666

231.6

[M]+

538.08945142

236.1

[M]-

538.09054858

236.1

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

6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe