PubChemLite - 1365531-75-4 (C40H36O4P2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C40H36O4P2/c1-41-29-25-35(43-3)39(37(27-29)45(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40-36(44-4)26-30(42-2)28-38(40)46(33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3

InChIKey

YSQIPQZYSQJPNL-UHFFFAOYSA-N

Compound name

[2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-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]+	643.21614	262.8
[M+Na]+	665.19808	262.8
[M-H]-	641.20158	275.9
[M+NH4]+	660.24268	261.1
[M+K]+	681.17202	258.2
[M+H-H2O]+	625.20612	240.9
[M+HCOO]-	687.20706	287.9
[M+CH3COO]-	701.22271	270.5
[M+Na-2H]-	663.18353	250.4
[M]+	642.20831	263.6
[M]-	642.20941	263.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

643.21614

262.8

[M+Na]+

665.19808

262.8

[M-H]-

641.20158

275.9

[M+NH4]+

660.24268

261.1

[M+K]+

681.17202

258.2

[M+H-H2O]+

625.20612

240.9

[M+HCOO]-

687.20706

287.9

[M+CH3COO]-

701.22271

270.5

[M+Na-2H]-

663.18353

250.4

[M]+

642.20831

263.6

[M]-

642.20941

263.6

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

1365531-75-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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