CID 9576442

1,2-propanediol, 3,3'-[(dibutylstannylene)bis(thio)]bis-

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
3
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]+ 449.083696 201.0
[M+Na]+ 471.065638 200.2
[M-H]- 447.069144 192.3
[M+NH4]+ 466.110243 210.7
[M+K]+ 487.039578 194.1
[M+H-H2O]+ 431.073680 193.8
[M+HCOO]- 493.074621 200.8
[M+CH3COO]- 507.090271 206.0
[M+Na-2H]- 469.051086 194.1
[M]+ 448.07587142 204.5
[M]- 448.07696858 204.5
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