CID 16683260

Nsc664307

Structural Information

Molecular Formula
C20H39Cl3O2Pb
SMILES
CC(C)CCC[Pb](CCCC(C)C)(CCCC(C)C)OC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/3C6H13.C2HCl3O2.Pb/c3*1-4-5-6(2)3;3-2(4,5)1(6)7;/h3*6H,1,4-5H2,2-3H3;(H,6,7);/q;;;;+1/p-1
InChIKey
BZVPWPLVKCUVOQ-UHFFFAOYSA-M
Compound name
tris(4-methylpentyl)plumbyl 2,2,2-trichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

624.1782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.18548 239.0
[M+Na]+ 647.16742 240.6
[M-H]- 623.17092 235.3
[M+NH4]+ 642.21202 249.1
[M+K]+ 663.14136 233.5
[M+H-H2O]+ 607.17546 234.0
[M+HCOO]- 669.17640 235.7
[M+CH3COO]- 683.19205 236.4
[M+Na-2H]- 645.15287 230.2
[M]+ 624.17765 247.7
[M]- 624.17875 247.7
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.