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

50
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

literature stripe

Patent stripe

patents stripe