PubChemLite - 111822-69-6 (C56H42O2Si2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC5=CC=CC=C5C(=C4O)C6=C(C(=CC7=CC=CC=C76)[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)O

InChI

InChI=1S/C56H42O2Si2/c57-55-51(59(43-25-7-1-8-26-43,44-27-9-2-10-28-44)45-29-11-3-12-30-45)39-41-23-19-21-37-49(41)53(55)54-50-38-22-20-24-42(50)40-52(56(54)58)60(46-31-13-4-14-32-46,47-33-15-5-16-34-47)48-35-17-6-18-36-48/h1-40,57-58H

InChIKey

STBZSRVMGWTCOU-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-3-triphenylsilylnaphthalen-1-yl)-3-triphenylsilylnaphthalen-2-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]+	803.27962	283.8
[M+Na]+	825.26156	282.8
[M-H]-	801.26506	299.0
[M+NH4]+	820.30616	275.0
[M+K]+	841.23550	273.7
[M+H-H2O]+	785.26960	262.9
[M+HCOO]-	847.27054	289.4
[M+CH3COO]-	861.28619	281.9
[M+Na-2H]-	823.24701	283.7
[M]+	802.27179	275.4
[M]-	802.27289	275.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

803.27962

283.8

[M+Na]+

825.26156

282.8

[M-H]-

801.26506

299.0

[M+NH4]+

820.30616

275.0

[M+K]+

841.23550

273.7

[M+H-H2O]+

785.26960

262.9

[M+HCOO]-

847.27054

289.4

[M+CH3COO]-

861.28619

281.9

[M+Na-2H]-

823.24701

283.7

[M]+

802.27179

275.4

[M]-

802.27289

275.4

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

111822-69-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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