PubChemLite - 133545-16-1 (C38H32O2P2)

Structural Information

Molecular Formula

SMILES

COC1=C(C(=CC=C1)P(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)OC

InChI

InChI=1S/C38H32O2P2/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3

InChIKey

KRJVQCZJJSUHHO-UHFFFAOYSA-N

Compound name

[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-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]+	583.19502	249.1
[M+Na]+	605.17696	268.7
[M+NH4]+	600.22156	257.3
[M+K]+	621.15090	255.4
[M-H]-	581.18046	263.1
[M+Na-2H]-	603.16241	264.7
[M]+	582.18719	256.4
[M]-	582.18829	256.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.19502

249.1

[M+Na]+

605.17696

268.7

[M+NH4]+

600.22156

257.3

[M+K]+

621.15090

255.4

[M-H]-

581.18046

263.1

[M+Na-2H]-

603.16241

264.7

[M]+

582.18719

256.4

[M]-

582.18829

256.4

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

133545-16-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe