CID 16682799

15590-78-0

Structural Information

Molecular Formula
C20H18OPbS
SMILES
CC(=O)S[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/3C6H5.C2H4OS.Pb/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKey
YYAOWIZOIWOGHH-UHFFFAOYSA-M
Compound name
S-triphenylplumbyl ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

514.0845 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.09178 212.9
[M+Na]+ 537.07372 217.1
[M-H]- 513.07722 220.3
[M+NH4]+ 532.11832 224.7
[M+K]+ 553.04766 210.0
[M+H-H2O]+ 497.08176 202.2
[M+HCOO]- 559.08270 227.0
[M+CH3COO]- 573.09835 212.1
[M+Na-2H]- 535.05917 212.5
[M]+ 514.08395 213.2
[M]- 514.08505 213.2
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

patents stripe