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]+ 607.11798 236.8
[M+Na]+ 629.09992 239.2
[M-H]- 605.10342 246.1
[M+NH4]+ 624.14452 243.7
[M+K]+ 645.07386 231.2
[M+H-H2O]+ 589.10796 223.9
[M+HCOO]- 651.10890 250.0
[M+CH3COO]- 665.12455 242.0
[M+Na-2H]- 627.08537 235.9
[M]+ 606.11015 237.1
[M]- 606.11125 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.