PubChemLite - Einecs 230-835-8 (C39H36P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)[P+](CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H36P2/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-18,20-31H,19,32-33H2/q+2

InChIKey

OKZLYNSHAULDAT-UHFFFAOYSA-N

Compound name

triphenyl(3-triphenylphosphaniumylpropyl)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]+	567.23653	260.2
[M+Na]+	589.21847	257.1
[M-H]-	565.22197	271.4
[M+NH4]+	584.26307	260.0
[M+K]+	605.19241	238.3
[M+H-H2O]+	549.22651	244.4
[M+HCOO]-	611.22745	282.0
[M+CH3COO]-	625.24310	241.4
[M+Na-2H]-	587.20392	259.5
[M]+	566.22870	251.6
[M]-	566.22980	251.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

567.23653

260.2

[M+Na]+

589.21847

257.1

[M-H]-

565.22197

271.4

[M+NH4]+

584.26307

260.0

[M+K]+

605.19241

238.3

[M+H-H2O]+

549.22651

244.4

[M+HCOO]-

611.22745

282.0

[M+CH3COO]-

625.24310

241.4

[M+Na-2H]-

587.20392

259.5

[M]+

566.22870

251.6

[M]-

566.22980

251.6

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

Einecs 230-835-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe