CID 635008

1,3-bis(diphenylphosphino)benzene

Structural Information

Molecular Formula
C30H24P2
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC(=CC=C3)P(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H24P2/c1-5-14-25(15-6-1)31(26-16-7-2-8-17-26)29-22-13-23-30(24-29)32(27-18-9-3-10-19-27)28-20-11-4-12-21-28/h1-24H
InChIKey
FPTBDONGKDQGOT-UHFFFAOYSA-N
Compound name
(3-diphenylphosphanylphenyl)-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

111
Patents

446.1353 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14258 213.8
[M+Na]+ 469.12452 232.6
[M+NH4]+ 464.16912 223.6
[M+K]+ 485.09846 219.8
[M-H]- 445.12802 226.3
[M+Na-2H]- 467.10997 229.7
[M]+ 446.13475 220.5
[M]- 446.13585 220.5
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.