CID 127256133

(r)-2,2'-bis[bis(4-methoxy-3,5-dimethylphenyl)phosphino]-4,4',6,6'-tetramethoxy)-1,1'-biphenyl

Structural Information

Molecular Formula
C52H60O4P2
SMILES
CC1=CC(=CC(=C1C)C)P(C2=CC(=C(C(=C2)C)C)C)C3=CC(=CC(=C3C4=C(C=C(C=C4P(C5=CC(=C(C(=C5)C)C)C)C6=CC(=C(C(=C6)C)C)C)OC)OC)OC)OC
InChI
InChI=1S/C52H60O4P2/c1-29-17-43(18-30(2)37(29)9)57(44-19-31(3)38(10)32(4)20-44)49-27-41(53-13)25-47(55-15)51(49)52-48(56-16)26-42(54-14)28-50(52)58(45-21-33(5)39(11)34(6)22-45)46-23-35(7)40(12)36(8)24-46/h17-28H,1-16H3
InChIKey
ITFRFVKFGZCSKA-UHFFFAOYSA-N
Compound name
[2-[2-bis(3,4,5-trimethylphenyl)phosphanyl-4,6-dimethoxyphenyl]-3,5-dimethoxyphenyl]-bis(3,4,5-trimethylphenyl)phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

810.39667 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 811.40395 315.6
[M+Na]+ 833.38589 335.6
[M+NH4]+ 828.43049 320.2
[M+K]+ 849.35983 322.8
[M-H]- 809.38939 329.2
[M+Na-2H]- 831.37134 323.5
[M]+ 810.39612 323.0
[M]- 810.39722 323.0
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

No patent data available for this compound.