CID 16684363

Phenyllead trilaurate

Structural Information

Molecular Formula
C42H74O6Pb
SMILES
CCCCCCCCCCCC(=O)O[Pb](C1=CC=CC=C1)(OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/3C12H24O2.C6H5.Pb/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-4-6-5-3-1;/h3*2-11H2,1H3,(H,13,14);1-5H;/q;;;;+3/p-3
InChIKey
UZAUHLCZKXKVBV-UHFFFAOYSA-K
Compound name
[di(dodecanoyloxy)-phenylplumbyl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

882.5252 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 883.53248 295.2
[M+Na]+ 905.51442 302.9
[M-H]- 881.51792 284.3
[M+NH4]+ 900.55902 303.5
[M+K]+ 921.48836 304.4
[M+H-H2O]+ 865.52246 295.7
[M+HCOO]- 927.52340 303.3
[M+CH3COO]- 941.53905 286.7
[M+Na-2H]- 903.49987 276.5
[M]+ 882.52465 293.0
[M]- 882.52575 293.0
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

patents stripe