PubChemLite - 729572-33-2 (C60H72O6P2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C2C(=C1C)C3=C(C(=CC(=C3OP(O2)OC4=CC=CC=C4C5=CC=CC=C5OP6OC7=C(C=C(C(=C7C8=C(C(=CC(=C8O6)C(C)(C)C)C)C)C)C)C(C)(C)C)C(C)(C)C)C)C)C(C)(C)C

InChI

InChI=1S/C60H72O6P2/c1-33-29-43(57(9,10)11)53-49(37(33)5)50-38(6)34(2)30-44(58(12,13)14)54(50)64-67(63-53)61-47-27-23-21-25-41(47)42-26-22-24-28-48(42)62-68-65-55-45(59(15,16)17)31-35(3)39(7)51(55)52-40(8)36(4)32-46(56(52)66-68)60(18,19)20/h21-32H,1-20H3

InChIKey

BWNYBZZRRYVGQK-UHFFFAOYSA-N

Compound name

4,8-ditert-butyl-6-[2-[2-(4,8-ditert-butyl-1,2,10,11-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]phenoxy]-1,2,10,11-tetramethylbenzo[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]+	951.48768	343.4
[M+Na]+	973.46962	351.1
[M-H]-	949.47312	359.2
[M+NH4]+	968.51422	336.8
[M+K]+	989.44356	362.2
[M+H-H2O]+	933.47766	331.6
[M+HCOO]-	995.47860	351.9
[M+CH3COO]-	1009.4943	312.9
[M+Na-2H]-	971.45507	293.6
[M]+	950.47985	352.0
[M]-	950.48095	352.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

951.48768

343.4

[M+Na]+

973.46962

351.1

[M-H]-

949.47312

359.2

[M+NH4]+

968.51422

336.8

[M+K]+

989.44356

362.2

[M+H-H2O]+

933.47766

331.6

[M+HCOO]-

995.47860

351.9

[M+CH3COO]-

1009.4943

312.9

[M+Na-2H]-

971.45507

293.6

[M]+

950.47985

352.0

[M]-

950.48095

352.0

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

729572-33-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe