PubChemLite - 17270-01-8 (C36H28O8P2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=C(C=C3)C4=CC=C(C=C4)OP(=O)(OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C36H28O8P2/c37-45(39-31-13-5-1-6-14-31,40-32-15-7-2-8-16-32)43-35-25-21-29(22-26-35)30-23-27-36(28-24-30)44-46(38,41-33-17-9-3-10-18-33)42-34-19-11-4-12-20-34/h1-28H

InChIKey

GXLTXCWSKKOKIR-UHFFFAOYSA-N

Compound name

[4-(4-diphenoxyphosphoryloxyphenyl)phenyl] diphenyl 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]+	651.13318	249.3
[M+Na]+	673.11512	248.1
[M-H]-	649.11862	262.1
[M+NH4]+	668.15972	246.0
[M+K]+	689.08906	247.0
[M+H-H2O]+	633.12316	227.7
[M+HCOO]-	695.12410	275.2
[M+CH3COO]-	709.13975	261.6
[M+Na-2H]-	671.10057	248.4
[M]+	650.12535	250.6
[M]-	650.12645	250.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

651.13318

249.3

[M+Na]+

673.11512

248.1

[M-H]-

649.11862

262.1

[M+NH4]+

668.15972

246.0

[M+K]+

689.08906

247.0

[M+H-H2O]+

633.12316

227.7

[M+HCOO]-

695.12410

275.2

[M+CH3COO]-

709.13975

261.6

[M+Na-2H]-

671.10057

248.4

[M]+

650.12535

250.6

[M]-

650.12645

250.6

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

17270-01-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe