CID 9576130

8-oxa-3,5-dithia-4-stannatetradecanoic acid, 10-ethyl-4,4-dimethyl-7-oxo-, 2-ethylhexyl ester

Structural Information

Molecular Formula
C22H44O4S2Sn
SMILES
CCCCC(CC)COC(=O)CS[Sn](C)(C)SCC(=O)OCC(CC)CCCC
InChI
InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2
InChIKey
YAHBZWSDRFSFOO-UHFFFAOYSA-L
Compound name
2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dimethylstannyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

848
Patents

556.1703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.17758 234.0
[M+Na]+ 579.15952 232.0
[M-H]- 555.16302 230.0
[M+NH4]+ 574.20412 256.0
[M+K]+ 595.13346 227.4
[M+H-H2O]+ 539.16756 225.1
[M+HCOO]- 601.16850 254.5
[M+CH3COO]- 615.18415 236.9
[M+Na-2H]- 577.14497 223.4
[M]+ 556.16975 245.2
[M]- 556.17085 245.2
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

patents stripe