CID 16684534

Dioctylbis(palmitoyloxy)stannane

Structural Information

Molecular Formula
C48H96O4Sn
SMILES
CCCCCCCCCCCCCCCC(=O)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/2C16H32O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-3-5-7-8-6-4-2;/h2*2-15H2,1H3,(H,17,18);2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKey
HUYAMDVOPBKCJF-UHFFFAOYSA-L
Compound name
[hexadecanoyloxy(dioctyl)stannyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

856.63306 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 857.64034 315.5
[M+Na]+ 879.62228 319.0
[M-H]- 855.62578 297.2
[M+NH4]+ 874.66688 319.3
[M+K]+ 895.59622 327.0
[M+H-H2O]+ 839.63032 312.6
[M+HCOO]- 901.63126 317.1
[M+CH3COO]- 915.64691 300.4
[M+Na-2H]- 877.60773 292.7
[M]+ 856.63251 314.8
[M]- 856.63361 314.8
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

patents stripe