CID 499319

Triphenyl[6-(triphenylphosphonio)hexyl]phosphonium-

Structural Information

Molecular Formula
C42H40P2
SMILES
C1=CC=C(C=C1)P(=CCCCCC=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C42H40P2/c1(21-35-43(37-23-9-3-10-24-37,38-25-11-4-12-26-38)39-27-13-5-14-28-39)2-22-36-44(40-29-15-6-16-30-40,41-31-17-7-18-32-41)42-33-19-8-20-34-42/h3-20,23-36H,1-2,21-22H2
InChIKey
XENLDWHIXRCTRO-UHFFFAOYSA-N
Compound name
triphenyl-[6-(triphenyl-lambda5-phosphanylidene)hexylidene]-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

606.2605 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.26778 259.7
[M+Na]+ 629.24972 257.3
[M-H]- 605.25322 270.0
[M+NH4]+ 624.29432 258.7
[M+K]+ 645.22366 246.5
[M+H-H2O]+ 589.25776 238.7
[M+HCOO]- 651.25870 282.4
[M+CH3COO]- 665.27435 258.4
[M+Na-2H]- 627.23517 253.1
[M]+ 606.25995 252.1
[M]- 606.26105 252.1
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.