CID 16683161

Nsc628693

Structural Information

Molecular Formula
C26H22O2PbS
SMILES
C1=CC=C(C=C1)SCC(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C8H8O2S.3C6H5.Pb/c9-8(10)6-11-7-4-2-1-3-5-7;3*1-2-4-6-5-3-1;/h1-5H,6H2,(H,9,10);3*1-5H;/q;;;;+1/p-1
InChIKey
WHKHOCPHMKLDIW-UHFFFAOYSA-M
Compound name
triphenylplumbyl 2-phenylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.1107 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.117976 236.8
[M+Na]+ 629.099918 239.2
[M-H]- 605.103424 246.1
[M+NH4]+ 624.144523 243.7
[M+K]+ 645.073858 231.2
[M+H-H2O]+ 589.107960 223.9
[M+HCOO]- 651.108901 250.0
[M+CH3COO]- 665.124551 242.0
[M+Na-2H]- 627.085366 235.9
[M]+ 606.11015142 237.1
[M]- 606.11124858 237.1
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.