CID 71300518

Einecs 304-166-8

Structural Information

Molecular Formula
C18H34O4Pb
SMILES
CCCCC(CC)C(=O)O[Pb]OC(=O)CCCCCCC(C)C
InChI
InChI=1S/C10H20O2.C8H16O2.Pb/c1-9(2)7-5-3-4-6-8-10(11)12;1-3-5-6-7(4-2)8(9)10;/h9H,3-8H2,1-2H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey
HXRFYASIPIRYLI-UHFFFAOYSA-L
Compound name
2-ethylhexanoyloxy(8-methylnonanoyloxy)lead
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.22235 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.22963 227.8
[M+Na]+ 545.21157 227.9
[M-H]- 521.21507 224.4
[M+NH4]+ 540.25617 242.1
[M+K]+ 561.18551 225.8
[M+H-H2O]+ 505.21961 218.9
[M+HCOO]- 567.22055 242.7
[M+CH3COO]- 581.23620 221.7
[M+Na-2H]- 543.19702 219.0
[M]+ 522.22180 235.8
[M]- 522.22290 235.8
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.