PubChemLite - 22031-12-5 (C41H39P3)

Structural Information

Molecular Formula

SMILES

CC(CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)CP(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H39P3/c1-41(32-42(35-20-8-2-9-21-35)36-22-10-3-11-23-36,33-43(37-24-12-4-13-25-37)38-26-14-5-15-27-38)34-44(39-28-16-6-17-29-39)40-30-18-7-19-31-40/h2-31H,32-34H2,1H3

InChIKey

BARUNXKDFNLHEV-UHFFFAOYSA-N

Compound name

[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane

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]+	625.23372	259.4
[M+Na]+	647.21566	276.0
[M+NH4]+	642.26026	267.1
[M+K]+	663.18960	262.8
[M-H]-	623.21916	272.4
[M+Na-2H]-	645.20111	274.4
[M]+	624.22589	265.9
[M]-	624.22699	265.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

625.23372

259.4

[M+Na]+

647.21566

276.0

[M+NH4]+

642.26026

267.1

[M+K]+

663.18960

262.8

[M-H]-

623.21916

272.4

[M+Na-2H]-

645.20111

274.4

[M]+

624.22589

265.9

[M]-

624.22699

265.9

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

22031-12-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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