CID 16683155

Nsc628687

Structural Information

Molecular Formula
C28H24O4PbS2
SMILES
C1=CC=C(C=C1)SCC(=O)O[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)CSC4=CC=CC=C4
InChI
InChI=1S/2C8H8O2S.2C6H5.Pb/c2*9-8(10)6-11-7-4-2-1-3-5-7;2*1-2-4-6-5-3-1;/h2*1-5H,6H2,(H,9,10);2*1-5H;/q;;;;+2/p-2
InChIKey
MHHROWFBLHTHPX-UHFFFAOYSA-L
Compound name
[diphenyl-(2-phenylsulfanylacetyl)oxyplumbyl] 2-phenylsulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

696.08826 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.09554 254.9
[M+Na]+ 719.07748 255.9
[M-H]- 695.08098 263.2
[M+NH4]+ 714.12208 258.2
[M+K]+ 735.05142 248.1
[M+H-H2O]+ 679.08552 242.2
[M+HCOO]- 741.08646 262.2
[M+CH3COO]- 755.10211 239.9
[M+Na-2H]- 717.06293 252.4
[M]+ 696.08771 258.0
[M]- 696.08881 258.0
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.