PubChemLite - 2-phenyl-4,6-bis(3-(triphenylsilyl)phenyl)-1,3,5-triazine (C57H43N3Si2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC(=CC=C7)[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C57H43N3Si2/c1-8-24-44(25-9-1)55-58-56(45-26-22-40-53(42-45)61(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)60-57(59-55)46-27-23-41-54(43-46)62(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52/h1-43H

InChIKey

YZIDAMOKOLBRDB-UHFFFAOYSA-N

Compound name

triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane

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]+	826.30684	285.3
[M+Na]+	848.28878	282.4
[M-H]-	824.29228	300.4
[M+NH4]+	843.33338	270.3
[M+K]+	864.26272	270.0
[M+H-H2O]+	808.29682	261.2
[M+HCOO]-	870.29776	289.6
[M+CH3COO]-	884.31341	281.5
[M+Na-2H]-	846.27423	284.9
[M]+	825.29901	273.6
[M]-	825.30011	273.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

826.30684

285.3

[M+Na]+

848.28878

282.4

[M-H]-

824.29228

300.4

[M+NH4]+

843.33338

270.3

[M+K]+

864.26272

270.0

[M+H-H2O]+

808.29682

261.2

[M+HCOO]-

870.29776

289.6

[M+CH3COO]-

884.31341

281.5

[M+Na-2H]-

846.27423

284.9

[M]+

825.29901

273.6

[M]-

825.30011

273.6

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

2-phenyl-4,6-bis(3-(triphenylsilyl)phenyl)-1,3,5-triazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe