CID 16683116

Plumbane, diacetoxydibutyl-

Structural Information

Molecular Formula
C12H24O4Pb
SMILES
CCCC[Pb](CCCC)(OC(=O)C)OC(=O)C
InChI
InChI=1S/2C4H9.2C2H4O2.Pb/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2
InChIKey
SQVPCUQBJLPVTP-UHFFFAOYSA-L
Compound name
[acetyloxy(dibutyl)plumbyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

440.1441 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15138 199.6
[M+Na]+ 463.13332 203.1
[M-H]- 439.13682 197.6
[M+NH4]+ 458.17792 215.1
[M+K]+ 479.10726 202.0
[M+H-H2O]+ 423.14136 192.4
[M+HCOO]- 485.14230 216.8
[M+CH3COO]- 499.15795 202.8
[M+Na-2H]- 461.11877 197.4
[M]+ 440.14355 206.3
[M]- 440.14465 206.3
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

patents stripe