CID 16682800

1802-86-4

Structural Information

Molecular Formula
C25H20OPbS
SMILES
C1=CC=C(C=C1)C(=O)S[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C7H6OS.3C6H5.Pb/c8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h1-5H,(H,8,9);3*1-5H;/q;;;;+1/p-1
InChIKey
LUXYWWMHEZKNBZ-UHFFFAOYSA-M
Compound name
S-triphenylplumbyl benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.10016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.10744 228.7
[M+Na]+ 599.08938 231.9
[M-H]- 575.09288 238.4
[M+NH4]+ 594.13398 237.1
[M+K]+ 615.06332 223.4
[M+H-H2O]+ 559.09742 216.4
[M+HCOO]- 621.09836 242.2
[M+CH3COO]- 635.11401 234.7
[M+Na-2H]- 597.07483 228.3
[M]+ 576.09961 227.5
[M]- 576.10071 227.5
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.