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
3
Annotation Hits

0
References

21
Patents

388.05527 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.062546 187.0
[M+Na]+ 411.044488 189.3
[M-H]- 387.047994 181.9
[M+NH4]+ 406.089093 201.1
[M+K]+ 427.018428 183.3
[M+H-H2O]+ 371.052530 180.0
[M+HCOO]- 433.053471 192.1
[M+CH3COO]- 447.069121 199.6
[M+Na-2H]- 409.029936 182.8
[M]+ 388.05472142 191.9
[M]- 388.05581858 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