PubChemLite - (r)-vapol (C40H26O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C=CC4=CC=CC=C43)O)C5=C(C=C6C=CC7=CC=CC=C7C6=C5O)C8=CC=CC=C8

InChI

InChI=1S/C40H26O2/c41-39-35-29(21-19-27-15-7-9-17-31(27)35)23-33(25-11-3-1-4-12-25)37(39)38-34(26-13-5-2-6-14-26)24-30-22-20-28-16-8-10-18-32(28)36(30)40(38)42/h1-24,41-42H

InChIKey

UFYXKDMLGBKHIC-UHFFFAOYSA-N

Compound name

3-(4-hydroxy-2-phenylphenanthren-3-yl)-2-phenylphenanthren-4-ol

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]+	539.20058	242.3
[M+Na]+	561.18252	267.6
[M+NH4]+	556.22712	253.3
[M+K]+	577.15646	251.1
[M-H]-	537.18602	256.2
[M+Na-2H]-	559.16797	255.8
[M]+	538.19275	250.9
[M]-	538.19385	250.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.20058

242.3

[M+Na]+

561.18252

267.6

[M+NH4]+

556.22712

253.3

[M+K]+

577.15646

251.1

[M-H]-

537.18602

256.2

[M+Na-2H]-

559.16797

255.8

[M]+

538.19275

250.9

[M]-

538.19385

250.9

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

(r)-vapol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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