PubChemLite - 80693-00-1 (C35H54O6P2)

Structural Information

Molecular Formula

SMILES

CC1=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

InChI

InChI=1S/C35H54O6P2/c1-23-15-25(31(3,4)5)29(26(16-23)32(6,7)8)40-42-36-19-35(20-37-42)21-38-43(39-22-35)41-30-27(33(9,10)11)17-24(2)18-28(30)34(12,13)14/h15-18H,19-22H2,1-14H3

InChIKey

SSADPHQCUURWSW-UHFFFAOYSA-N

Compound name

3,9-bis(2,6-ditert-butyl-4-methylphenoxy)-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]+	633.34682	250.3
[M+Na]+	655.32876	259.6
[M+NH4]+	650.37336	254.7
[M+K]+	671.30270	255.5
[M-H]-	631.33226	258.6
[M+Na-2H]-	653.31421	253.2
[M]+	632.33899	254.4
[M]-	632.34009	254.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

633.34682

250.3

[M+Na]+

655.32876

259.6

[M+NH4]+

650.37336

254.7

[M+K]+

671.30270

255.5

[M-H]-

631.33226

258.6

[M+Na-2H]-

653.31421

253.2

[M]+

632.33899

254.4

[M]-

632.34009

254.4

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

80693-00-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe