PubChemLite - (3r)-2,2'-diphenyl[3,3'-biphenanthrene]-4,4'-diol (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	237.1
[M+Na]+	561.18252	245.4
[M-H]-	537.18602	249.5
[M+NH4]+	556.22712	242.6
[M+K]+	577.15646	235.1
[M+H-H2O]+	521.19056	221.1
[M+HCOO]-	583.19150	250.7
[M+CH3COO]-	597.20715	242.7
[M+Na-2H]-	559.16797	241.0
[M]+	538.19275	236.6
[M]-	538.19385	236.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.20058

237.1

[M+Na]+

561.18252

245.4

[M-H]-

537.18602

249.5

[M+NH4]+

556.22712

242.6

[M+K]+

577.15646

235.1

[M+H-H2O]+

521.19056

221.1

[M+HCOO]-

583.19150

250.7

[M+CH3COO]-

597.20715

242.7

[M+Na-2H]-

559.16797

241.0

[M]+

538.19275

236.6

[M]-

538.19385

236.6

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

(3r)-2,2'-diphenyl[3,3'-biphenanthrene]-4,4'-diol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe