CID 163291

Methyltintris(2-hexadecanoyloxyethylmercaptide)

Structural Information

Molecular Formula
C55H108O6S3Sn
SMILES
CCCCCCCCCCCCCCCC(=O)OCCS[Sn](C)(SCCOC(=O)CCCCCCCCCCCCCCC)SCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/3C18H36O2S.CH3.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17-21;;/h3*21H,2-17H2,1H3;1H3;/q;;;;+3/p-3
InChIKey
VTWFBCYABBZXOJ-UHFFFAOYSA-K
Compound name
2-[bis(2-hexadecanoyloxyethylsulfanyl)-methylstannyl]sulfanylethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1080.633 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1081.6403 369.7
[M+Na]+ 1103.6222 365.6
[M-H]- 1079.6257 343.1
[M+NH4]+ 1098.6668 373.3
[M+K]+ 1119.5962 379.3
[M+H-H2O]+ 1063.6303 365.6
[M+HCOO]- 1125.6312 362.7
[M+CH3COO]- 1139.6469 323.0
[M+Na-2H]- 1101.6077 340.3
[M]+ 1080.6325 373.4
[M]- 1080.6335 373.4
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.