PubChemLite - Phosphoric acid,esters,1,4-phenylene tetraphenyl ester (C30H24O8P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C2=C(C(=C(C(=C2OP(=O)(O)O)C3=CC=CC=C3)C4=CC=CC=C4)OP(=O)(O)O)C5=CC=CC=C5

InChI

InChI=1S/C30H24O8P2/c31-39(32,33)37-29-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)30(38-40(34,35)36)28(24-19-11-4-12-20-24)27(29)23-17-9-3-10-18-23/h1-20H,(H2,31,32,33)(H2,34,35,36)

InChIKey

NUOPWMXKKDSBEN-UHFFFAOYSA-N

Compound name

(2,3,5,6-tetraphenyl-4-phosphonooxyphenyl) dihydrogen phosphate

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]+	575.10195	232.8
[M+Na]+	597.08389	234.5
[M-H]-	573.08739	240.4
[M+NH4]+	592.12849	232.0
[M+K]+	613.05783	232.0
[M+H-H2O]+	557.09193	215.2
[M+HCOO]-	619.09287	255.4
[M+CH3COO]-	633.10852	245.8
[M+Na-2H]-	595.06934	230.4
[M]+	574.09412	231.4
[M]-	574.09522	231.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.10195

232.8

[M+Na]+

597.08389

234.5

[M-H]-

573.08739

240.4

[M+NH4]+

592.12849

232.0

[M+K]+

613.05783

232.0

[M+H-H2O]+

557.09193

215.2

[M+HCOO]-

619.09287

255.4

[M+CH3COO]-

633.10852

245.8

[M+Na-2H]-

595.06934

230.4

[M]+

574.09412

231.4

[M]-

574.09522

231.4

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

Phosphoric acid,esters,1,4-phenylene tetraphenyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe