PubChemLite - 108906-67-8 (C30H24O10)

Structural Information

Molecular Formula

SMILES

CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C5C=C6C(=C(C(=C(O6)C)C)O)C(=C5C(=CC4=O)O)O)O)C

InChI

InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31,33-34,36-38H,1-4H3

InChIKey

BDIZPQDFMHMOFZ-UHFFFAOYSA-N

Compound name

4,5,6-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)benzo[g]chromen-8-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]+	545.14424	236.6
[M+Na]+	567.12618	247.6
[M-H]-	543.12968	243.0
[M+NH4]+	562.17078	239.6
[M+K]+	583.10012	247.3
[M+H-H2O]+	527.13422	225.4
[M+HCOO]-	589.13516	241.1
[M+CH3COO]-	603.15081	242.7
[M+Na-2H]-	565.11163	235.0
[M]+	544.13641	244.3
[M]-	544.13751	244.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

545.14424

236.6

[M+Na]+

567.12618

247.6

[M-H]-

543.12968

243.0

[M+NH4]+

562.17078

239.6

[M+K]+

583.10012

247.3

[M+H-H2O]+

527.13422

225.4

[M+HCOO]-

589.13516

241.1

[M+CH3COO]-

603.15081

242.7

[M+Na-2H]-

565.11163

235.0

[M]+

544.13641

244.3

[M]-

544.13751

244.3

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

108906-67-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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