CID 16683086

Biomet 14

Structural Information

Molecular Formula
C20H25O2Sb
SMILES
CCCCC(CC)C(=O)O[Sb](C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C8H16O2.2C6H5.Sb/c1-3-5-6-7(4-2)8(9)10;2*1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);2*1-5H;/q;;;+1/p-1
InChIKey
VDTQBQDVHSDDLY-UHFFFAOYSA-M
Compound name
diphenylstibanyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

418.08926 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09654 199.5
[M+Na]+ 441.07848 201.5
[M-H]- 417.08198 203.8
[M+NH4]+ 436.12308 212.2
[M+K]+ 457.05242 197.4
[M+H-H2O]+ 401.08652 189.7
[M+HCOO]- 463.08746 217.8
[M+CH3COO]- 477.10311 212.0
[M+Na-2H]- 439.06393 197.8
[M]+ 418.08871 201.1
[M]- 418.08981 201.1
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