PubChemLite - Triphenyl(2-((triphenylphosphoranyl)methyl)benzyl)phosphorane (C44H36P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(=CC2=CC=CC=C2C=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C44H36P2/c1-7-23-39(24-8-1)45(40-25-9-2-10-26-40,41-27-11-3-12-28-41)35-37-21-19-20-22-38(37)36-46(42-29-13-4-14-30-42,43-31-15-5-16-32-43)44-33-17-6-18-34-44/h1-36H

InChIKey

CSMKHZNLUQDUHM-UHFFFAOYSA-N

Compound name

triphenyl-[[2-[(triphenyl-lambda5-phosphanylidene)methyl]phenyl]methylidene]-lambda5-phosphane

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]+	627.23653	260.6
[M+Na]+	649.21847	258.8
[M-H]-	625.22197	273.3
[M+NH4]+	644.26307	258.0
[M+K]+	665.19241	248.2
[M+H-H2O]+	609.22651	238.6
[M+HCOO]-	671.22745	282.4
[M+CH3COO]-	685.24310	261.6
[M+Na-2H]-	647.20392	254.0
[M]+	626.22870	250.4
[M]-	626.22980	250.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

627.23653

260.6

[M+Na]+

649.21847

258.8

[M-H]-

625.22197

273.3

[M+NH4]+

644.26307

258.0

[M+K]+

665.19241

248.2

[M+H-H2O]+

609.22651

238.6

[M+HCOO]-

671.22745

282.4

[M+CH3COO]-

685.24310

261.6

[M+Na-2H]-

647.20392

254.0

[M]+

626.22870

250.4

[M]-

626.22980

250.4

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

Triphenyl(2-((triphenylphosphoranyl)methyl)benzyl)phosphorane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe