PubChemLite - 6-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one (C30H22O10)

Structural Information

Molecular Formula

SMILES

C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3=C4C(=C(C=C3O)O)C(=O)CC(O4)C5=CC=C(C=C5)O)O)C6=CC=C(C=C6)O

InChI

InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)22-11-20(36)26-24(39-22)12-21(37)27(29(26)38)28-18(34)9-17(33)25-19(35)10-23(40-30(25)28)14-3-7-16(32)8-4-14/h1-9,12,22-23,31-34,37-38H,10-11H2

InChIKey

YBDIZQWDBBOOFB-UHFFFAOYSA-N

Compound name

6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-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]+	543.12858	229.4
[M+Na]+	565.11052	235.4
[M-H]-	541.11402	238.3
[M+NH4]+	560.15512	228.8
[M+K]+	581.08446	234.5
[M+H-H2O]+	525.11856	217.3
[M+HCOO]-	587.11950	234.0
[M+CH3COO]-	601.13515	234.2
[M+Na-2H]-	563.09597	227.2
[M]+	542.12075	229.0
[M]-	542.12185	229.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.12858

229.4

[M+Na]+

565.11052

235.4

[M-H]-

541.11402

238.3

[M+NH4]+

560.15512

228.8

[M+K]+

581.08446

234.5

[M+H-H2O]+

525.11856

217.3

[M+HCOO]-

587.11950

234.0

[M+CH3COO]-

601.13515

234.2

[M+Na-2H]-

563.09597

227.2

[M]+

542.12075

229.0

[M]-

542.12185

229.0

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe