CID 9576301

67874-48-0

Structural Information

Molecular Formula
C10H20O4S2Sn
SMILES
CC(=O)OCCS[Sn](C)(C)SCCOC(=O)C
InChI
InChI=1S/2C4H8O2S.2CH3.Sn/c2*1-4(5)6-2-3-7;;;/h2*7H,2-3H2,1H3;2*1H3;/q;;;;+2/p-2
InChIKey
STOFNUJASTWSKI-UHFFFAOYSA-L
Compound name
2-[2-acetyloxyethylsulfanyl(dimethyl)stannyl]sulfanylethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.9825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98978 184.9
[M+Na]+ 410.97172 188.6
[M-H]- 386.97522 183.2
[M+NH4]+ 406.01632 200.0
[M+K]+ 426.94566 185.6
[M+H-H2O]+ 370.97976 177.7
[M+HCOO]- 432.98070 192.3
[M+CH3COO]- 446.99635 201.2
[M+Na-2H]- 408.95717 180.9
[M]+ 387.98195 192.9
[M]- 387.98305 192.9
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.