CID 16684075

Lead diphenyl acid propionate

Structural Information

Molecular Formula
C18H20O4Pb
SMILES
CCC(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)CC
InChI
InChI=1S/2C6H5.2C3H6O2.Pb/c2*1-2-4-6-5-3-1;2*1-2-3(4)5;/h2*1-5H;2*2H2,1H3,(H,4,5);/q;;;;+2/p-2
InChIKey
BWOREAPMHKDVSC-UHFFFAOYSA-L
Compound name
[diphenyl(propanoyloxy)plumbyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.11282 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.12010 212.9
[M+Na]+ 531.10204 215.8
[M-H]- 507.10554 217.2
[M+NH4]+ 526.14664 224.4
[M+K]+ 547.07598 212.4
[M+H-H2O]+ 491.11008 202.6
[M+HCOO]- 553.11102 230.9
[M+CH3COO]- 567.12667 211.9
[M+Na-2H]- 529.08749 212.5
[M]+ 508.11227 216.0
[M]- 508.11337 216.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.