PubChemLite - 21050-13-5 (C36H30NP2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C36H30NP2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H/q+1

InChIKey

FXCZFAOTGUCDBE-UHFFFAOYSA-N

Compound name

triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]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]+	539.19264	235.1
[M+Na]+	561.17458	255.5
[M+NH4]+	556.21918	245.0
[M+K]+	577.14852	242.5
[M-H]-	537.17808	250.6
[M+Na-2H]-	559.16003	254.3
[M]+	538.18481	243.3
[M]-	538.18591	243.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.19264

235.1

[M+Na]+

561.17458

255.5

[M+NH4]+

556.21918

245.0

[M+K]+

577.14852

242.5

[M-H]-

537.17808

250.6

[M+Na-2H]-

559.16003

254.3

[M]+

538.18481

243.3

[M]-

538.18591

243.3

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

21050-13-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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