PubChemLite - Hdtpp (C42H42P2)

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/C42H42P2/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/h3-20,23-34H,1-2,21-22,35-36H2/q+2

InChIKey

DDKINMHTJWQSMW-UHFFFAOYSA-N

Compound name

triphenyl(6-triphenylphosphaniumylhexyl)phosphanium

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]+	609.28348	273.2
[M+Na]+	631.26542	268.7
[M-H]-	607.26892	283.6
[M+NH4]+	626.31002	271.3
[M+K]+	647.23936	249.3
[M+H-H2O]+	591.27346	256.6
[M+HCOO]-	653.27440	293.8
[M+CH3COO]-	667.29005	249.2
[M+Na-2H]-	629.25087	270.9
[M]+	608.27565	265.2
[M]-	608.27675	265.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.28348

273.2

[M+Na]+

631.26542

268.7

[M-H]-

607.26892

283.6

[M+NH4]+

626.31002

271.3

[M+K]+

647.23936

249.3

[M+H-H2O]+

591.27346

256.6

[M+HCOO]-

653.27440

293.8

[M+CH3COO]-

667.29005

249.2

[M+Na-2H]-

629.25087

270.9

[M]+

608.27565

265.2

[M]-

608.27675

265.2

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

Hdtpp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe