CID 9576400

Einecs 267-639-7

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 247.7
[M+Na]+ 607.19082 251.5
[M-H]- 583.19432 239.9
[M+NH4]+ 602.23542 255.7
[M+K]+ 623.16476 255.8
[M+H-H2O]+ 567.19886 231.0
[M+HCOO]- 629.19980 252.7
[M+CH3COO]- 643.21545 242.0
[M+Na-2H]- 605.17627 230.7
[M]+ 584.20105 253.5
[M]- 584.20215 253.5
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