CID 169768

36339-47-6

Structural Information

Molecular Formula
C66H87O6PS3
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

compound 2d structure
2
Annotation Hits

0
References

105
Patents

1102.5403 Da
Monoisotopic Mass

22.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1103.5476 320.2
[M+Na]+ 1125.5295 325.7
[M+NH4]+ 1120.5741 322.4
[M+K]+ 1141.5035 323.7
[M-H]- 1101.5330 318.4
[M+Na-2H]- 1123.5150 338.1
[M]+ 1102.5398 321.5
[M]- 1102.5408 321.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe