CID 90659554

Einecs 273-383-7

Structural Information

Molecular Formula
C115H211P3
SMILES
CCCCCCCCCCCCCP(CCCCCCCCCCCCC)C1=CC(=CC(=C1C)C(C)CC(C2=C(C(=CC(=C2)C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)C)C3=C(C(=CC(=C3)C(C)(C)C)P(CCCCCCCCCCCCC)CCCCCCCCCCCCC)C)C(C)(C)C
InChI
InChI=1S/C115H211P3/c1-20-26-32-38-44-50-56-62-68-74-80-86-116(87-81-75-69-63-57-51-45-39-33-27-21-2)110-96-103(113(11,12)13)93-106(100(110)8)99(7)92-109(107-94-104(114(14,15)16)97-111(101(107)9)117(88-82-76-70-64-58-52-46-40-34-28-22-3)89-83-77-71-65-59-53-47-41-35-29-23-4)108-95-105(115(17,18)19)98-112(102(108)10)118(90-84-78-72-66-60-54-48-42-36-30-24-5)91-85-79-73-67-61-55-49-43-37-31-25-6/h93-99,109H,20-92H2,1-19H3
InChIKey
WGTSAWLQMDRRQL-UHFFFAOYSA-N
Compound name
[3-[4,4-bis[5-tert-butyl-3-di(tridecyl)phosphanyl-2-methylphenyl]butan-2-yl]-5-tert-butyl-2-methylphenyl]-di(tridecyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

1685.5724 Da
Monoisotopic Mass

48.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1686.5797 400.1
[M+Na]+ 1708.5616 398.3
[M-H]- 1684.5651 372.4
[M+NH4]+ 1703.6062 412.4
[M+K]+ 1724.5356 426.4
[M+H-H2O]+ 1668.5697 378.1
[M+HCOO]- 1730.5706 394.4
[M+CH3COO]- 1744.5863 441.8
[M+Na-2H]- 1706.5471 366.9
[M]+ 1685.5719 413.9
[M]- 1685.5729 413.9
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