PubChemLite - 1646906-26-4 (C57H42N3O3P3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=CC=CC(=C3)C4=NC(=NC(=N4)C5=CC(=CC=C5)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC(=CC=C8)P(=O)(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C57H42N3O3P3/c61-64(46-25-7-1-8-26-46,47-27-9-2-10-28-47)52-37-19-22-43(40-52)55-58-56(44-23-20-38-53(41-44)65(62,48-29-11-3-12-30-48)49-31-13-4-14-32-49)60-57(59-55)45-24-21-39-54(42-45)66(63,50-33-15-5-16-34-50)51-35-17-6-18-36-51/h1-42H

InChIKey

RDVGOMWIWCMKAM-UHFFFAOYSA-N

Compound name

2,4,6-tris(3-diphenylphosphorylphenyl)-1,3,5-triazine

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]+	910.25118	285.1
[M+Na]+	932.23312	277.9
[M-H]-	908.23662	297.4
[M+NH4]+	927.27772	266.3
[M+K]+	948.20706	272.4
[M+H-H2O]+	892.24116	254.5
[M+HCOO]-	954.24210	298.9
[M+CH3COO]-	968.25775	279.5
[M+Na-2H]-	930.21857	276.9
[M]+	909.24335	270.3
[M]-	909.24445	270.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

910.25118

285.1

[M+Na]+

932.23312

277.9

[M-H]-

908.23662

297.4

[M+NH4]+

927.27772

266.3

[M+K]+

948.20706

272.4

[M+H-H2O]+

892.24116

254.5

[M+HCOO]-

954.24210

298.9

[M+CH3COO]-

968.25775

279.5

[M+Na-2H]-

930.21857

276.9

[M]+

909.24335

270.3

[M]-

909.24445

270.3

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

1646906-26-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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