CID 9575818

Einecs 221-190-3

Structural Information

Molecular Formula
C12H28O2S2Sn
SMILES
CCCC[Sn](CCCC)(SCCO)SCCO
InChI
InChI=1S/2C4H9.2C2H6OS.Sn/c2*1-3-4-2;2*3-1-2-4;/h2*1,3-4H2,2H3;2*3-4H,1-2H2;/q;;;;+2/p-2
InChIKey
ZFWGNAOKHGCBSE-UHFFFAOYSA-L
Compound name
2-[dibutyl(2-hydroxyethylsulfanyl)stannyl]sulfanylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

388.05527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06255 184.2
[M+Na]+ 411.04449 189.9
[M+NH4]+ 406.08909 190.3
[M+K]+ 427.01843 179.8
[M-H]- 387.04799 181.9
[M+Na-2H]- 409.02994 182.3
[M]+ 388.05472 185.0
[M]- 388.05582 185.0
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