CID 3016595

3-(triphenylplumbyl)-1h-pyrazole

Structural Information

Molecular Formula
C21H18N2Pb
SMILES
C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=NN4
InChI
InChI=1S/3C6H5.C3H3N2.Pb/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;/h3*1-5H;1-2H,(H,4,5);
InChIKey
UQHCYQRUUQBPAU-UHFFFAOYSA-N
Compound name
triphenyl(1H-pyrazol-5-yl)plumbane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.12366 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.13094 210.5
[M+Na]+ 529.11288 214.3
[M-H]- 505.11638 217.0
[M+NH4]+ 524.15748 219.7
[M+K]+ 545.08682 205.5
[M+H-H2O]+ 489.12092 197.6
[M+HCOO]- 551.12186 227.2
[M+CH3COO]- 565.13751 217.2
[M+Na-2H]- 527.09833 212.4
[M]+ 506.12311 206.0
[M]- 506.12421 206.0
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

No patent data available for this compound.