PubChemLite - 138776-88-2 (C52H56O6P2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OP2OC3=CC=CC=C3C4=CC=CC=C4O2)C5=C(C(=CC(=C5)C(C)(C)C)C(C)(C)C)OP6OC7=CC=CC=C7C8=CC=CC=C8O6

InChI

InChI=1S/C52H56O6P2/c1-49(2,3)33-29-39(47(41(31-33)51(7,8)9)57-59-53-43-25-17-13-21-35(43)36-22-14-18-26-44(36)54-59)40-30-34(50(4,5)6)32-42(52(10,11)12)48(40)58-60-55-45-27-19-15-23-37(45)38-24-16-20-28-46(38)56-60/h13-32H,1-12H3

InChIKey

AQVQTKKOMSVMPM-UHFFFAOYSA-N

Compound name

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3,5-ditert-butylphenyl)-4,6-ditert-butylphenoxy]benzo[d][1,3,2]benzodioxaphosphepine

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]+	839.36248	312.2
[M+Na]+	861.34442	319.3
[M-H]-	837.34792	327.5
[M+NH4]+	856.38902	307.8
[M+K]+	877.31836	327.8
[M+H-H2O]+	821.35246	302.0
[M+HCOO]-	883.35340	323.7
[M+CH3COO]-	897.36905	291.0
[M+Na-2H]-	859.32987	308.3
[M]+	838.35465	317.2
[M]-	838.35575	317.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

839.36248

312.2

[M+Na]+

861.34442

319.3

[M-H]-

837.34792

327.5

[M+NH4]+

856.38902

307.8

[M+K]+

877.31836

327.8

[M+H-H2O]+

821.35246

302.0

[M+HCOO]-

883.35340

323.7

[M+CH3COO]-

897.36905

291.0

[M+Na-2H]-

859.32987

308.3

[M]+

838.35465

317.2

[M]-

838.35575

317.2

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

138776-88-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe