CID 90659554

68958-97-4

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 442.6
[M+Na]+ 1708.5616 437.1
[M+NH4]+ 1703.6062 443.0
[M+K]+ 1724.5356 445.8
[M-H]- 1684.5651 410.5
[M+Na-2H]- 1706.5471 423.3
[M]+ 1685.5719 435.0
[M]- 1685.5729 435.0
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

patents stripe