PubChemLite - 73790-49-5 (C40H38P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C40H38P2/c1-7-21-35(22-8-1)41(36-23-9-2-10-24-36,37-25-11-3-12-26-37)33-19-20-34-42(38-27-13-4-14-28-38,39-29-15-5-16-30-39)40-31-17-6-18-32-40/h1-18,21-32H,19-20,33-34H2/q+2

InChIKey

NEHOZOUEOAZNQN-UHFFFAOYSA-N

Compound name

triphenyl(4-triphenylphosphaniumylbutyl)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]+	581.25218	264.6
[M+Na]+	603.23412	261.0
[M-H]-	579.23762	275.5
[M+NH4]+	598.27872	263.8
[M+K]+	619.20806	242.0
[M+H-H2O]+	563.24216	248.5
[M+HCOO]-	625.24310	286.0
[M+CH3COO]-	639.25875	244.0
[M+Na-2H]-	601.21957	263.3
[M]+	580.24435	256.2
[M]-	580.24545	256.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

581.25218

264.6

[M+Na]+

603.23412

261.0

[M-H]-

579.23762

275.5

[M+NH4]+

598.27872

263.8

[M+K]+

619.20806

242.0

[M+H-H2O]+

563.24216

248.5

[M+HCOO]-

625.24310

286.0

[M+CH3COO]-

639.25875

244.0

[M+Na-2H]-

601.21957

263.3

[M]+

580.24435

256.2

[M]-

580.24545

256.2

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

73790-49-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe