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

4
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

patents stripe