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
4
Annotation Hits

0
References

1110
Patents

556.1703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.177576 234.0
[M+Na]+ 579.159518 232.0
[M-H]- 555.163024 230.0
[M+NH4]+ 574.204123 256.0
[M+K]+ 595.133458 227.4
[M+H-H2O]+ 539.167560 225.1
[M+HCOO]- 601.168501 254.5
[M+CH3COO]- 615.184151 236.9
[M+Na-2H]- 577.144966 223.4
[M]+ 556.16975142 245.2
[M]- 556.17084858 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