CID 9576400

67905-20-8

Structural Information

Molecular Formula
C24H48O4S2Sn
SMILES
CC(CC(=O)OCCS[Sn](C)(C)SCCOC(=O)CC(C)CC(C)(C)C)CC(C)(C)C
InChI
InChI=1S/2C11H22O2S.2CH3.Sn/c2*1-9(8-11(2,3)4)7-10(12)13-5-6-14;;;/h2*9,14H,5-8H2,1-4H3;2*1H3;/q;;;;+2/p-2
InChIKey
FDERCXTWWWSIME-UHFFFAOYSA-L
Compound name
2-[dimethyl-[2-(3,5,5-trimethylhexanoyloxy)ethylsulfanyl]stannyl]sulfanylethyl 3,5,5-trimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

584.2016 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.20888 238.3
[M+Na]+ 607.19082 239.8
[M+NH4]+ 602.23542 237.7
[M+K]+ 623.16476 230.2
[M-H]- 583.19432 223.2
[M+Na-2H]- 605.17627 233.2
[M]+ 584.20105 237.6
[M]- 584.20215 237.6
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