CID 171922

Einecs 267-421-1

Structural Information

Molecular Formula
C115H211O9P3
SMILES
CC1=CC(=C(C=C1C(C)CC(C2=CC(=C(C=C2C)OP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C(C)(C)C)C3=CC(=C(C=C3C)OP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)C(C)(C)C)C(C)(C)C)OP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C
InChI
InChI=1S/C115H211O9P3/c1-93(2)74-62-50-38-26-32-44-56-68-80-116-125(117-81-69-57-45-33-27-39-51-63-75-94(3)4)122-110-87-100(14)103(90-107(110)113(17,18)19)99(13)86-106(104-91-108(114(20,21)22)111(88-101(104)15)123-126(118-82-70-58-46-34-28-40-52-64-76-95(5)6)119-83-71-59-47-35-29-41-53-65-77-96(7)8)105-92-109(115(23,24)25)112(89-102(105)16)124-127(120-84-72-60-48-36-30-42-54-66-78-97(9)10)121-85-73-61-49-37-31-43-55-67-79-98(11)12/h87-99,106H,26-86H2,1-25H3
InChIKey
LRHFUSALKUBATA-UHFFFAOYSA-N
Compound name
[4-[4,4-bis[4-[bis(11-methyldodecoxy)phosphanyloxy]-5-tert-butyl-2-methylphenyl]butan-2-yl]-2-tert-butyl-5-methylphenyl] bis(11-methyldodecyl) phosphite
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1829.5266 Da
Monoisotopic Mass

47.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1830.5339 470.2
[M+Na]+ 1852.5158 461.2
[M+NH4]+ 1847.5604 478.0
[M+K]+ 1868.4898 472.7
[M-H]- 1828.5193 448.1
[M+Na-2H]- 1850.5013 451.9
[M]+ 1829.5261 466.1
[M]- 1829.5271 466.1
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.