CID 4621664

54050-02-1

Structural Information

Molecular Formula
C50H42P2
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C3=CC=C(C=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
InChI
InChI=1S/C50H42P2/c1-7-19-45(20-8-1)51(46-21-9-2-10-22-46,47-23-11-3-12-24-47)39-41-31-35-43(36-32-41)44-37-33-42(34-38-44)40-52(48-25-13-4-14-26-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50/h1-38H,39-40H2/q+2
InChIKey
VDSJMSZGLJXWJZ-UHFFFAOYSA-N
Compound name
triphenyl-[[4-[4-(triphenylphosphaniumylmethyl)phenyl]phenyl]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

704.2762 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.28348 292.1
[M+Na]+ 727.26542 286.4
[M-H]- 703.26892 305.7
[M+NH4]+ 722.31002 284.8
[M+K]+ 743.23936 267.6
[M+H-H2O]+ 687.27346 272.0
[M+HCOO]- 749.27440 309.1
[M+CH3COO]- 763.29005 263.3
[M+Na-2H]- 725.25087 287.1
[M]+ 704.27565 279.9
[M]- 704.27675 279.9
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.