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
2
Annotation Hits

0
References

41
Patents

448.07642 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.08370 201.0
[M+Na]+ 471.06564 200.2
[M-H]- 447.06914 192.3
[M+NH4]+ 466.11024 210.7
[M+K]+ 487.03958 194.1
[M+H-H2O]+ 431.07368 193.8
[M+HCOO]- 493.07462 200.8
[M+CH3COO]- 507.09027 206.0
[M+Na-2H]- 469.05109 194.1
[M]+ 448.07587 204.5
[M]- 448.07697 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