PubChemLite - 36339-47-6 (C66H87O6PS3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)OP(OC3=C(C=C(C(=C3)C)SC4=CC(=C(C=C4C)O)C(C)(C)C)C(C)(C)C)OC5=C(C=C(C(=C5)C)SC6=CC(=C(C=C6C)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O

InChI

InChI=1S/C66H87O6PS3/c1-37-25-49(67)43(61(7,8)9)31-55(37)74-58-34-46(64(16,17)18)52(28-40(58)4)70-73(71-53-29-41(5)59(35-47(53)65(19,20)21)75-56-32-44(62(10,11)12)50(68)26-38(56)2)72-54-30-42(6)60(36-48(54)66(22,23)24)76-57-33-45(63(13,14)15)51(69)27-39(57)3/h25-36,67-69H,1-24H3

InChIKey

BZOOHIARAFBZEV-UHFFFAOYSA-N

Compound name

tris[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] phosphite

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]+	1103.5476	294.2
[M+Na]+	1125.5295	318.3
[M-H]-	1101.5330	305.6
[M+NH4]+	1120.5741	305.2
[M+K]+	1141.5035	289.7
[M+H-H2O]+	1085.5376	280.9
[M+HCOO]-	1147.5385	305.8
[M+CH3COO]-	1161.5542	340.4
[M+Na-2H]-	1123.5150	322.3
[M]+	1102.5398	339.7
[M]-	1102.5408	339.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

1103.5476

294.2

[M+Na]+

1125.5295

318.3

[M-H]-

1101.5330

305.6

[M+NH4]+

1120.5741

305.2

[M+K]+

1141.5035

289.7

[M+H-H2O]+

1085.5376

280.9

[M+HCOO]-

1147.5385

305.8

[M+CH3COO]-

1161.5542

340.4

[M+Na-2H]-

1123.5150

322.3

[M]+

1102.5398

339.7

[M]-

1102.5408

339.7

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

36339-47-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe