CID 4124243

5072-98-0

Structural Information

Molecular Formula
C26H20Pb
SMILES
C1=CC=C(C=C1)C#C[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C8H5.3C6H5.Pb/c1-2-8-6-4-3-5-7-8;3*1-2-4-6-5-3-1;/h3-7H;3*1-5H;
InChIKey
MGCZPODMNMQFSU-UHFFFAOYSA-N
Compound name
triphenyl(2-phenylethynyl)plumbane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

540.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.14048 231.1
[M+Na]+ 563.12242 237.8
[M-H]- 539.12592 236.5
[M+NH4]+ 558.16702 238.7
[M+K]+ 579.09636 224.1
[M+H-H2O]+ 523.13046 212.8
[M+HCOO]- 585.13140 243.4
[M+CH3COO]- 599.14705 235.3
[M+Na-2H]- 561.10787 230.6
[M]+ 540.13265 221.4
[M]- 540.13375 221.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe