CID 498873

Benzylidene-[1-[2-[benzylidene(diphenyl)-$l^{5}-phosphanyl]-1-naphthyl]-2-naphthyl]-diphenyl-$l^{5}-phosphane

Structural Information

Molecular Formula
C58H44P2
SMILES
C1=CC=C(C=C1)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C5=CC=CC=C5C=C4)C6=C(C=CC7=CC=CC=C76)P(=CC8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1
InChI
InChI=1S/C58H44P2/c1-7-23-45(24-8-1)43-59(49-29-11-3-12-30-49,50-31-13-4-14-32-50)55-41-39-47-27-19-21-37-53(47)57(55)58-54-38-22-20-28-48(54)40-42-56(58)60(51-33-15-5-16-34-51,52-35-17-6-18-36-52)44-46-25-9-2-10-26-46/h1-44H
InChIKey
PKZTUFVNLFDBEX-UHFFFAOYSA-N
Compound name
benzylidene-[1-[2-[benzylidene(diphenyl)-lambda5-phosphanyl]naphthalen-1-yl]naphthalen-2-yl]-diphenyl-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

802.2918 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.29908 293.4
[M+Na]+ 825.28102 290.0
[M-H]- 801.28452 306.7
[M+NH4]+ 820.32562 284.4
[M+K]+ 841.25496 279.6
[M+H-H2O]+ 785.28906 267.0
[M+HCOO]- 847.29000 308.0
[M+CH3COO]- 861.30565 290.0
[M+Na-2H]- 823.26647 284.6
[M]+ 802.29125 280.9
[M]- 802.29235 280.9
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.