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 310.1
[M+Na]+ 833.38589 313.7
[M-H]- 809.38939 325.0
[M+NH4]+ 828.43049 304.7
[M+K]+ 849.35983 310.9
[M+H-H2O]+ 793.39393 287.2
[M+HCOO]- 855.39487 330.3
[M+CH3COO]- 869.41052 316.4
[M+Na-2H]- 831.37134 285.2
[M]+ 810.39612 319.6
[M]- 810.39722 319.6
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.