CID 163290

Butyltintris(2-hexadecanoyloxyethylmercaptide)

Structural Information

Molecular Formula
C58H114O6S3Sn
SMILES
CCCCCCCCCCCCCCCC(=O)OCCS[Sn](CCCC)(SCCOC(=O)CCCCCCCCCCCCCCC)SCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/3C18H36O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17-21;1-3-4-2;/h3*21H,2-17H2,1H3;1,3-4H2,2H3;/q;;;;+3/p-3
InChIKey
XCDMDKRTVNTACC-UHFFFAOYSA-K
Compound name
2-[butyl-bis(2-hexadecanoyloxyethylsulfanyl)stannyl]sulfanylethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1122.6799 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1123.6872 378.2
[M+Na]+ 1145.6691 373.7
[M-H]- 1121.6726 350.7
[M+NH4]+ 1140.7137 381.8
[M+K]+ 1161.6431 388.5
[M+H-H2O]+ 1105.6772 373.8
[M+HCOO]- 1167.6781 370.2
[M+CH3COO]- 1181.6938 329.5
[M+Na-2H]- 1143.6546 347.8
[M]+ 1122.6794 382.2
[M]- 1122.6804 382.2
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.