PubChemLite - 106423-29-4 (C40H36P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C40H36P2/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/h1-32H,33-34H2/q+2/b20-19+

InChIKey

UOISPEMFOAAJLR-FMQUCBEESA-N

Compound name

triphenyl-[(E)-4-triphenylphosphaniumylbut-2-enyl]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]+	579.23653	264.1
[M+Na]+	601.21847	260.9
[M-H]-	577.22197	275.2
[M+NH4]+	596.26307	263.5
[M+K]+	617.19241	241.4
[M+H-H2O]+	561.22651	248.1
[M+HCOO]-	623.22745	285.7
[M+CH3COO]-	637.24310	242.5
[M+Na-2H]-	599.20392	262.8
[M]+	578.22870	255.1
[M]-	578.22980	255.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.23653

264.1

[M+Na]+

601.21847

260.9

[M-H]-

577.22197

275.2

[M+NH4]+

596.26307

263.5

[M+K]+

617.19241

241.4

[M+H-H2O]+

561.22651

248.1

[M+HCOO]-

623.22745

285.7

[M+CH3COO]-

637.24310

242.5

[M+Na-2H]-

599.20392

262.8

[M]+

578.22870

255.1

[M]-

578.22980

255.1

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

106423-29-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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