CID 16683274

Triphenyl(propylsulfanyl)plumbane

Structural Information

Molecular Formula
C21H22PbS
SMILES
CCCS[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C3H8S.Pb/c3*1-2-4-6-5-3-1;1-2-3-4;/h3*1-5H;4H,2-3H2,1H3;/q;;;;+1/p-1
InChIKey
QYRNTGWNILIXFR-UHFFFAOYSA-M
Compound name
triphenyl(propylsulfanyl)plumbane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.12085 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.12813 213.7
[M+Na]+ 537.11007 217.6
[M-H]- 513.11357 220.8
[M+NH4]+ 532.15467 225.7
[M+K]+ 553.08401 209.7
[M+H-H2O]+ 497.11811 202.8
[M+HCOO]- 559.11905 228.0
[M+CH3COO]- 573.13470 213.7
[M+Na-2H]- 535.09552 213.7
[M]+ 514.12030 214.2
[M]- 514.12140 214.2
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.