CID 10964351

167709-31-1

Structural Information

Molecular Formula
C70H96O2P2
SMILES
CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC(=C2C3=C(C=CC=C3P(C4=CC(=CC(=C4)C(C)(C)C)C(C)(C)C)C5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)OC)OC)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C70H96O2P2/c1-63(2,3)45-33-46(64(4,5)6)38-53(37-45)73(54-39-47(65(7,8)9)34-48(40-54)66(10,11)12)59-31-27-29-57(71-25)61(59)62-58(72-26)30-28-32-60(62)74(55-41-49(67(13,14)15)35-50(42-55)68(16,17)18)56-43-51(69(19,20)21)36-52(44-56)70(22,23)24/h27-44H,1-26H3
InChIKey
PBYRAYONARLAQJ-UHFFFAOYSA-N
Compound name
[2-[2-bis(3,5-ditert-butylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-ditert-butylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

1030.6886 Da
Monoisotopic Mass

22.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1031.6959 319.0
[M+Na]+ 1053.6778 321.4
[M+NH4]+ 1048.7224 325.1
[M+K]+ 1069.6518 321.6
[M-H]- 1029.6813 319.8
[M+Na-2H]- 1051.6633 311.0
[M]+ 1030.6881 321.3
[M]- 1030.6891 321.3
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