CID 9576401

67939-64-4

Structural Information

Molecular Formula
C22H44O4S2Sn
SMILES
CCCCC(CC)C(=O)OCCS[Sn](C)(C)SCCOC(=O)C(CC)CCCC
InChI
InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)10(11)12-7-8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2
InChIKey
KJUUWRGQFLZYKV-UHFFFAOYSA-L
Compound name
2-[2-(2-ethylhexanoyloxy)ethylsulfanyl-dimethylstannyl]sulfanylethyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.1703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.17758 228.6
[M+Na]+ 579.15952 231.0
[M+NH4]+ 574.20412 242.2
[M+K]+ 595.13346 222.3
[M-H]- 555.16302 224.3
[M+Na-2H]- 577.14497 223.8
[M]+ 556.16975 228.2
[M]- 556.17085 228.2
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

No patent data available for this compound.