CID 16684785

Bismuth neodecanoate

Structural Information

Molecular Formula
C30H57BiO6
SMILES
CCCCCCC(C)(C)C(=O)O[Bi](OC(=O)C(C)(C)CCCCCC)OC(=O)C(C)(C)CCCCCC
InChI
InChI=1S/3C10H20O2.Bi/c3*1-4-5-6-7-8-10(2,3)9(11)12;/h3*4-8H2,1-3H3,(H,11,12);/q;;;+3/p-3
InChIKey
TUQRJVHQQXIPMN-UHFFFAOYSA-K
Compound name
bis(2,2-dimethyloctanoyloxy)bismuthanyl 2,2-dimethyloctanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

450
Patents

722.39594 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.40322 266.0
[M+Na]+ 745.38516 273.1
[M-H]- 721.38866 265.0
[M+NH4]+ 740.42976 278.6
[M+K]+ 761.35910 277.1
[M+H-H2O]+ 705.39320 262.9
[M+HCOO]- 767.39414 272.2
[M+CH3COO]- 781.40979 259.3
[M+Na-2H]- 743.37061 251.6
[M]+ 722.39539 267.3
[M]- 722.39649 267.3
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