CID 171236

Einecs 258-310-9

Structural Information

Molecular Formula
C86H128O8P2
SMILES
CCCCCCCCC1=CC=C(C=C1)OP(OCCCCCCOP(OC2=CC=C(C=C2)CCCCCCCC)OC3=C(C=C(C(=C3)C)C(CCC)C4=CC(=C(C=C4C)O)CCCC)CCCC)OC5=C(C=C(C(=C5)C)C(CCC)C6=CC(=C(C=C6C)O)CCCC)CCCC
InChI
InChI=1S/C86H128O8P2/c1-13-21-27-29-31-35-41-69-47-51-75(52-48-69)91-95(93-85-59-67(11)81(63-73(85)45-25-17-5)77(39-19-7)79-61-71(43-23-15-3)83(87)57-65(79)9)89-55-37-33-34-38-56-90-96(92-76-53-49-70(50-54-76)42-36-32-30-28-22-14-2)94-86-60-68(12)82(64-74(86)46-26-18-6)78(40-20-8)80-62-72(44-24-16-4)84(88)58-66(80)10/h47-54,57-64,77-78,87-88H,13-46,55-56H2,1-12H3
InChIKey
DNAVQBWTRXEMSP-UHFFFAOYSA-N
Compound name
6-[[2-butyl-4-[1-(5-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenoxy]-(4-octylphenoxy)phosphanyl]oxyhexyl [2-butyl-4-[1-(5-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenyl] (4-octylphenyl) phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1350.9084 Da
Monoisotopic Mass

31.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1351.9157 334.0
[M+Na]+ 1373.8976 338.5
[M-H]- 1349.9011 317.6
[M+NH4]+ 1368.9422 342.5
[M+K]+ 1389.8716 342.0
[M+H-H2O]+ 1333.9057 326.2
[M+HCOO]- 1395.9066 346.9
[M+CH3COO]- 1409.9223 389.0
[M+Na-2H]- 1371.8831 396.6
[M]+ 1350.9079 337.0
[M]- 1350.9089 337.0
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

No patent data available for this compound.