CID 9576442

68298-38-4

Structural Information

Molecular Formula
C14H32O4S2Sn
SMILES
CCCC[Sn](CCCC)(SCC(CO)O)SCC(CO)O
InChI
InChI=1S/2C4H9.2C3H8O2S.Sn/c2*1-3-4-2;2*4-1-3(5)2-6;/h2*1,3-4H2,2H3;2*3-6H,1-2H2;/q;;;;+2/p-2
InChIKey
BPZBMXMGCUKIDL-UHFFFAOYSA-L
Compound name
3-[dibutyl(2,3-dihydroxypropylsulfanyl)stannyl]sulfanylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

448.07642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.08370 197.2
[M+Na]+ 471.06564 199.6
[M+NH4]+ 466.11024 200.8
[M+K]+ 487.03958 192.6
[M-H]- 447.06914 192.2
[M+Na-2H]- 469.05109 192.5
[M]+ 448.07587 196.5
[M]- 448.07697 196.5
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