CID 45051183

73326-46-2

Structural Information

Molecular Formula
C52H42P2
SMILES
C1=CC=C(C=C1)[P+](CC2=C(C3=CC=CC=C3C4=CC=CC=C42)C[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9
InChI
InChI=1S/C52H42P2/c1-7-23-41(24-8-1)53(42-25-9-2-10-26-42,43-27-11-3-12-28-43)39-51-49-37-21-19-35-47(49)48-36-20-22-38-50(48)52(51)40-54(44-29-13-4-14-30-44,45-31-15-5-16-32-45)46-33-17-6-18-34-46/h1-38H,39-40H2/q+2
InChIKey
VLJYNHRRCVGVEV-UHFFFAOYSA-N
Compound name
triphenyl-[[10-(triphenylphosphaniumylmethyl)phenanthren-9-yl]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

728.2762 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 729.28348 296.4
[M+Na]+ 751.26542 291.8
[M-H]- 727.26892 308.9
[M+NH4]+ 746.31002 290.0
[M+K]+ 767.23936 273.2
[M+H-H2O]+ 711.27346 275.3
[M+HCOO]- 773.27440 311.4
[M+CH3COO]- 787.29005 267.8
[M+Na-2H]- 749.25087 292.8
[M]+ 728.27565 285.5
[M]- 728.27675 285.5
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.