CID 10854945

1,3-bis(diphenylphosphinomethyl)benzene

Structural Information

Molecular Formula
C32H28P2
SMILES
C1=CC=C(C=C1)P(CC2=CC(=CC=C2)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H28P2/c1-5-16-29(17-6-1)33(30-18-7-2-8-19-30)25-27-14-13-15-28(24-27)26-34(31-20-9-3-10-21-31)32-22-11-4-12-23-32/h1-24H,25-26H2
InChIKey
QLSOZHFOFHARBJ-UHFFFAOYSA-N
Compound name
[3-(diphenylphosphanylmethyl)phenyl]methyl-diphenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

38
Patents

474.16663 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.17391 223.7
[M+Na]+ 497.15585 223.8
[M-H]- 473.15935 233.4
[M+NH4]+ 492.20045 229.1
[M+K]+ 513.12979 215.7
[M+H-H2O]+ 457.16389 205.3
[M+HCOO]- 519.16483 251.0
[M+CH3COO]- 533.18048 228.9
[M+Na-2H]- 495.14130 215.8
[M]+ 474.16608 219.0
[M]- 474.16718 219.0
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.