CID 498316

Phosphorane, 1,3-propanediylidenebis[triphenyl-

Structural Information

Molecular Formula
C39H34P2
SMILES
C1=CC=C(C=C1)P(=CCC=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C39H34P2/c1-7-20-34(21-8-1)40(35-22-9-2-10-23-35,36-24-11-3-12-25-36)32-19-33-41(37-26-13-4-14-27-37,38-28-15-5-16-29-38)39-30-17-6-18-31-39/h1-18,20-33H,19H2
InChIKey
JXDWZBZGYUNYID-UHFFFAOYSA-N
Compound name
triphenyl-[3-(triphenyl-lambda5-phosphanylidene)propylidene]-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

564.21356 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.22084 247.2
[M+Na]+ 587.20278 246.2
[M-H]- 563.20628 258.3
[M+NH4]+ 582.24738 247.9
[M+K]+ 603.17672 235.9
[M+H-H2O]+ 547.21082 226.9
[M+HCOO]- 609.21176 271.0
[M+CH3COO]- 623.22741 249.8
[M+Na-2H]- 585.18823 242.2
[M]+ 564.21301 239.0
[M]- 564.21411 239.0
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.