CID 494116

10273-74-2

Structural Information

Molecular Formula
C44H38P2
SMILES
C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C44H38P2/c1-7-22-39(23-8-1)45(40-24-9-2-10-25-40,41-26-11-3-12-27-41)35-37-20-19-21-38(34-37)36-46(42-28-13-4-14-29-42,43-30-15-5-16-31-43)44-32-17-6-18-33-44/h1-34H,35-36H2/q+2
InChIKey
HTHKLYJSULLEOY-UHFFFAOYSA-N
Compound name
triphenyl-[[3-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

628.2449 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.25218 258.7
[M+Na]+ 651.23412 281.8
[M+NH4]+ 646.27872 269.2
[M+K]+ 667.20806 267.7
[M-H]- 627.23762 276.8
[M+Na-2H]- 649.21957 278.7
[M]+ 628.24435 268.6
[M]- 628.24545 268.6
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.