CID 16682798

(benzylsulfanyl)(triphenyl)plumbane

Structural Information

Molecular Formula
C25H22PbS
SMILES
C1=CC=C(C=C1)CS[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C7H8S.3C6H5.Pb/c8-6-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5,8H,6H2;3*1-5H;/q;;;;+1/p-1
InChIKey
BJWMCPHNTMUBNB-UHFFFAOYSA-M
Compound name
benzylsulfanyl(triphenyl)plumbane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

562.12085 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.12813 225.1
[M+Na]+ 585.11007 228.6
[M-H]- 561.11357 234.6
[M+NH4]+ 580.15467 234.3
[M+K]+ 601.08401 219.4
[M+H-H2O]+ 545.11811 212.8
[M+HCOO]- 607.11905 239.3
[M+CH3COO]- 621.13470 231.4
[M+Na-2H]- 583.09552 225.5
[M]+ 562.12030 223.9
[M]- 562.12140 223.9
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.