CID 6308777

53103-03-0

Structural Information

Molecular Formula
C42H33P3
SMILES
C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C42H33P3/c1-6-20-34(21-7-1)43(35-22-8-2-9-23-35)39-30-16-18-32-41(39)45(38-28-14-5-15-29-38)42-33-19-17-31-40(42)44(36-24-10-3-11-25-36)37-26-12-4-13-27-37/h1-33H
InChIKey
ISBBNYHOCIARJD-UHFFFAOYSA-N
Compound name
bis(2-diphenylphosphanylphenyl)-phenylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

630.1795 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 631.18678 256.2
[M+Na]+ 653.16872 252.2
[M-H]- 629.17222 267.6
[M+NH4]+ 648.21332 253.4
[M+K]+ 669.14266 244.1
[M+H-H2O]+ 613.17676 232.3
[M+HCOO]- 675.17770 282.4
[M+CH3COO]- 689.19335 256.8
[M+Na-2H]- 651.15417 241.4
[M]+ 630.17895 246.5
[M]- 630.18005 246.5
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.