CID 100958

59118-77-3

Structural Information

Molecular Formula
C13H24O6S3Sn
SMILES
CC(=O)OCCS[Sn](C)(SCCOC(=O)C)SCCOC(=O)C
InChI
InChI=1S/3C4H8O2S.CH3.Sn/c3*1-4(5)6-2-3-7;;/h3*7H,2-3H2,1H3;1H3;/q;;;;+3/p-3
InChIKey
SYPKACFPRZOONJ-UHFFFAOYSA-K
Compound name
2-[bis(2-acetyloxyethylsulfanyl)-methylstannyl]sulfanylethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.9757 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.98298 207.6
[M+Na]+ 514.96492 208.4
[M-H]- 490.96842 204.0
[M+NH4]+ 510.00952 217.6
[M+K]+ 530.93886 203.4
[M+H-H2O]+ 474.97296 199.2
[M+HCOO]- 536.97390 207.6
[M+CH3COO]- 550.98955 217.5
[M+Na-2H]- 512.95037 202.1
[M]+ 491.97515 216.7
[M]- 491.97625 216.7
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.