6,6'-((3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy(1,1'-biphenyl)-2,2'-diyl)bis(oxy))bis(dibenzo(d,f)(1,3,2)dioxaphosphepin) (C46H44O8P2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C1=CC(=CC(=C1OP2OC3=CC=CC=C3C4=CC=CC=C4O2)C5=C(C(=CC(=C5)OC)C(C)(C)C)OP6OC7=CC=CC=C7C8=CC=CC=C8O6)OC

InChI

InChI=1S/C46H44O8P2/c1-45(2,3)37-27-29(47-7)25-35(43(37)53-55-49-39-21-13-9-17-31(39)32-18-10-14-22-40(32)50-55)36-26-30(48-8)28-38(46(4,5)6)44(36)54-56-51-41-23-15-11-19-33(41)34-20-12-16-24-42(34)52-56/h9-28H,1-8H3

InChIKey

WUFGFUAXCBPGOL-UHFFFAOYSA-N

Compound name

6-[2-(2-benzo[d][1,3,2]benzodioxaphosphepin-6-yloxy-3-tert-butyl-5-methoxyphenyl)-6-tert-butyl-4-methoxyphenoxy]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]+	787.258436	298.9
[M+Na]+	809.240378	307.2
[M-H]-	785.243884	315.0
[M+NH4]+	804.284983	295.7
[M+K]+	825.214318	316.4
[M+H-H2O]+	769.248420	288.5
[M+HCOO]-	831.249361	314.5
[M+CH3COO]-	845.265011	301.7
[M+Na-2H]-	807.225826	294.7
[M]+	786.25061142	305.6
[M]-	786.25170858	305.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

787.258436

298.9

[M+Na]+

809.240378

307.2

[M-H]-

785.243884

315.0

[M+NH4]+

804.284983

295.7

[M+K]+

825.214318

316.4

[M+H-H2O]+

769.248420

288.5

[M+HCOO]-

831.249361

314.5

[M+CH3COO]-

845.265011

301.7

[M+Na-2H]-

807.225826

294.7

[M]+

786.25061142

305.6

[M]-

786.25170858

305.6

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

6,6'-((3,3'-bis(1,1-dimethylethyl)-5,5'-dimethoxy(1,1'-biphenyl)-2,2'-diyl)bis(oxy))bis(dibenzo(d,f)(1,3,2)dioxaphosphepin)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe