PubChemLite - 565184-32-9 (C37H36P2)

Structural Information

Molecular Formula

SMILES

CC(C1CCCC1C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H36P2/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33/h2-15,17-25,28-29,34-35H,16,26-27H2,1H3

InChIKey

UBZRBAGKZVXGJV-UHFFFAOYSA-N

Compound name

[2-[2-(1-diphenylphosphanylethyl)cyclopentyl]phenyl]-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]+	543.23653	237.6
[M+Na]+	565.21847	234.7
[M-H]-	541.22197	249.7
[M+NH4]+	560.26307	241.4
[M+K]+	581.19241	226.9
[M+H-H2O]+	525.22651	219.1
[M+HCOO]-	587.22745	261.2
[M+CH3COO]-	601.24310	241.0
[M+Na-2H]-	563.20392	222.8
[M]+	542.22870	229.5
[M]-	542.22980	229.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.23653

237.6

[M+Na]+

565.21847

234.7

[M-H]-

541.22197

249.7

[M+NH4]+

560.26307

241.4

[M+K]+

581.19241

226.9

[M+H-H2O]+

525.22651

219.1

[M+HCOO]-

587.22745

261.2

[M+CH3COO]-

601.24310

241.0

[M+Na-2H]-

563.20392

222.8

[M]+

542.22870

229.5

[M]-

542.22980

229.5

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

565184-32-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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