PubChemLite - (p-phenylenebis(methylene))bis(triphenylphosphonium) dichloride (C44H38P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C44H38P2/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-34H,35-36H2/q+2

InChIKey

VONCWLPUYAZYSK-UHFFFAOYSA-N

Compound name

triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]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]+	629.25218	275.1
[M+Na]+	651.23412	270.9
[M-H]-	627.23762	287.8
[M+NH4]+	646.27872	271.5
[M+K]+	667.20806	252.0
[M+H-H2O]+	611.24216	257.2
[M+HCOO]-	673.24310	294.7
[M+CH3COO]-	687.25875	251.5
[M+Na-2H]-	649.21957	272.4
[M]+	628.24435	264.6
[M]-	628.24545	264.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

629.25218

275.1

[M+Na]+

651.23412

270.9

[M-H]-

627.23762

287.8

[M+NH4]+

646.27872

271.5

[M+K]+

667.20806

252.0

[M+H-H2O]+

611.24216

257.2

[M+HCOO]-

673.24310

294.7

[M+CH3COO]-

687.25875

251.5

[M+Na-2H]-

649.21957

272.4

[M]+

628.24435

264.6

[M]-

628.24545

264.6

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

(p-phenylenebis(methylene))bis(triphenylphosphonium) dichloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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