CID 202326

10111-14-5

Structural Information

Molecular Formula
C42H34P2
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C42H34P2/c1-7-19-35(20-8-1)43(36-21-9-2-10-22-36,37-23-11-3-12-24-37)41-31-33-42(34-32-41)44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-34H/q+2
InChIKey
ZSXSRIHAEVOAFE-UHFFFAOYSA-N
Compound name
triphenyl-(4-triphenylphosphaniumylphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

600.21356 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.22084 266.8
[M+Na]+ 623.20278 263.6
[M-H]- 599.20628 279.9
[M+NH4]+ 618.24738 264.4
[M+K]+ 639.17672 244.9
[M+H-H2O]+ 583.21082 249.4
[M+HCOO]- 645.21176 287.2
[M+CH3COO]- 659.22741 246.6
[M+Na-2H]- 621.18823 265.2
[M]+ 600.21301 255.9
[M]- 600.21411 255.9
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

patents stripe