CID 10964351

192138-05-9

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

95
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 327.1
[M+Na]+ 1053.6778 321.3
[M-H]- 1029.6813 338.0
[M+NH4]+ 1048.7224 314.1
[M+K]+ 1069.6518 323.1
[M+H-H2O]+ 1013.6859 306.5
[M+HCOO]- 1075.6868 330.2
[M+CH3COO]- 1089.7025 341.6
[M+Na-2H]- 1051.6633 318.8
[M]+ 1030.6881 331.7
[M]- 1030.6891 331.7
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