PubChemLite - Nsc686381 (C32H20O6)

Structural Information

Molecular Formula

SMILES

C1C2=CC=CC=C2C3=C1C=C(C=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O

InChI

InChI=1S/C32H20O6/c33-29-22-9-3-5-11-24(22)37-31(35)27(29)26(28-30(34)23-10-4-6-12-25(23)38-32(28)36)18-13-14-21-19(16-18)15-17-7-1-2-8-20(17)21/h1-14,16,26,33-34H,15H2

InChIKey

ISHMDZQJPXVGLT-UHFFFAOYSA-N

Compound name

3-[9H-fluoren-2-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-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]+	501.13326	218.5
[M+Na]+	523.11520	228.7
[M-H]-	499.11870	231.8
[M+NH4]+	518.15980	226.0
[M+K]+	539.08914	224.8
[M+H-H2O]+	483.12324	207.5
[M+HCOO]-	545.12418	232.6
[M+CH3COO]-	559.13983	227.2
[M+Na-2H]-	521.10065	221.3
[M]+	500.12543	224.1
[M]-	500.12653	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

501.13326

218.5

[M+Na]+

523.11520

228.7

[M-H]-

499.11870

231.8

[M+NH4]+

518.15980

226.0

[M+K]+

539.08914

224.8

[M+H-H2O]+

483.12324

207.5

[M+HCOO]-

545.12418

232.6

[M+CH3COO]-

559.13983

227.2

[M+Na-2H]-

521.10065

221.3

[M]+

500.12543

224.1

[M]-

500.12653

224.1

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

Nsc686381

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe