PubChemLite - 86632-33-9 (C44H32O2P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(=O)(C7=CC=CC=C7)C8=CC=CC=C8

InChI

InChI=1S/C44H32O2P2/c45-47(35-19-5-1-6-20-35,36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)48(46,37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H

InChIKey

SEZSRPYCOMAEDL-UHFFFAOYSA-N

Compound name

2-diphenylphosphoryl-1-(2-diphenylphosphorylnaphthalen-1-yl)naphthalene

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]+	655.19502	265.0
[M+Na]+	677.17696	266.1
[M-H]-	653.18046	277.9
[M+NH4]+	672.22156	263.3
[M+K]+	693.15090	258.1
[M+H-H2O]+	637.18500	242.0
[M+HCOO]-	699.18594	285.7
[M+CH3COO]-	713.20159	266.6
[M+Na-2H]-	675.16241	260.7
[M]+	654.18719	258.9
[M]-	654.18829	258.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

655.19502

265.0

[M+Na]+

677.17696

266.1

[M-H]-

653.18046

277.9

[M+NH4]+

672.22156

263.3

[M+K]+

693.15090

258.1

[M+H-H2O]+

637.18500

242.0

[M+HCOO]-

699.18594

285.7

[M+CH3COO]-

713.20159

266.6

[M+Na-2H]-

675.16241

260.7

[M]+

654.18719

258.9

[M]-

654.18829

258.9

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

86632-33-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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