CID 16683263

Nsc664310

Structural Information

Molecular Formula
C14H20Cl2O3Pb
SMILES
CC[Pb](CC)(CC)OC(=O)COC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C8H6Cl2O3.3C2H5.Pb/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;3*1-2;/h1-3H,4H2,(H,11,12);3*1H2,2H3;/q;;;;+1/p-1
InChIKey
AOPAVXQTEWNTII-UHFFFAOYSA-M
Compound name
triethylplumbyl 2-(2,4-dichlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0556 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.06288 208.1
[M+Na]+ 537.04482 214.8
[M-H]- 513.04832 209.5
[M+NH4]+ 532.08942 222.3
[M+K]+ 553.01876 208.8
[M+H-H2O]+ 497.05286 201.5
[M+HCOO]- 559.05380 217.3
[M+CH3COO]- 573.06945 213.0
[M+Na-2H]- 535.03027 206.2
[M]+ 514.05505 216.6
[M]- 514.05615 216.6
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.