PubChemLite - Triphenyl[6-(triphenylphosphonio)hexyl]phosphonium- (C42H40P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(=CCCCCC=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C42H40P2/c1(21-35-43(37-23-9-3-10-24-37,38-25-11-4-12-26-38)39-27-13-5-14-28-39)2-22-36-44(40-29-15-6-16-30-40,41-31-17-7-18-32-41)42-33-19-8-20-34-42/h3-20,23-36H,1-2,21-22H2

InChIKey

XENLDWHIXRCTRO-UHFFFAOYSA-N

Compound name

triphenyl-[6-(triphenyl-lambda5-phosphanylidene)hexylidene]-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]+	607.26778	259.7
[M+Na]+	629.24972	257.3
[M-H]-	605.25322	270.0
[M+NH4]+	624.29432	258.7
[M+K]+	645.22366	246.5
[M+H-H2O]+	589.25776	238.7
[M+HCOO]-	651.25870	282.4
[M+CH3COO]-	665.27435	258.4
[M+Na-2H]-	627.23517	253.1
[M]+	606.25995	252.1
[M]-	606.26105	252.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

607.26778

259.7

[M+Na]+

629.24972

257.3

[M-H]-

605.25322

270.0

[M+NH4]+

624.29432

258.7

[M+K]+

645.22366

246.5

[M+H-H2O]+

589.25776

238.7

[M+HCOO]-

651.25870

282.4

[M+CH3COO]-

665.27435

258.4

[M+Na-2H]-

627.23517

253.1

[M]+

606.25995

252.1

[M]-

606.26105

252.1

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

Triphenyl[6-(triphenylphosphonio)hexyl]phosphonium-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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