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

41
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

literature stripe

Patent stripe

patents stripe