PubChemLite - 126505-35-9 (C41H66O6P2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OP2OCC3(CO2)COP(OC3)OC4=C(C=C(C=C4C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C41H66O6P2/c1-35(2,3)27-19-29(37(7,8)9)33(30(20-27)38(10,11)12)46-48-42-23-41(24-43-48)25-44-49(45-26-41)47-34-31(39(13,14)15)21-28(36(4,5)6)22-32(34)40(16,17)18/h19-22H,23-26H2,1-18H3

InChIKey

SHDUFLICMXOBPA-UHFFFAOYSA-N

Compound name

3,9-bis(2,4,6-tritert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane

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]+	717.44078	282.1
[M+Na]+	739.42272	281.7
[M-H]-	715.42622	291.4
[M+NH4]+	734.46732	279.2
[M+K]+	755.39666	287.8
[M+H-H2O]+	699.43076	269.0
[M+HCOO]-	761.43170	289.0
[M+CH3COO]-	775.44735	288.6
[M+Na-2H]-	737.40817	282.3
[M]+	716.43295	287.8
[M]-	716.43405	287.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

717.44078

282.1

[M+Na]+

739.42272

281.7

[M-H]-

715.42622

291.4

[M+NH4]+

734.46732

279.2

[M+K]+

755.39666

287.8

[M+H-H2O]+

699.43076

269.0

[M+HCOO]-

761.43170

289.0

[M+CH3COO]-

775.44735

288.6

[M+Na-2H]-

737.40817

282.3

[M]+

716.43295

287.8

[M]-

716.43405

287.8

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

126505-35-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe