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 187.0
[M+Na]+ 411.04449 189.3
[M-H]- 387.04799 181.9
[M+NH4]+ 406.08909 201.1
[M+K]+ 427.01843 183.3
[M+H-H2O]+ 371.05253 180.0
[M+HCOO]- 433.05347 192.1
[M+CH3COO]- 447.06912 199.6
[M+Na-2H]- 409.02994 182.8
[M]+ 388.05472 191.9
[M]- 388.05582 191.9
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