CID 53403789

2168559-42-8

Structural Information

Molecular Formula
C16H28F3NSSn
SMILES
CCCC[Sn](CCCC)(CCCC)C1=NC(=CS1)C(F)(F)F
InChI
InChI=1S/C4HF3NS.3C4H9.Sn/c5-4(6,7)3-1-9-2-8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3;
InChIKey
NGTMMEPBAPUXRE-UHFFFAOYSA-N
Compound name
tributyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]stannane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

443.09164 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.098916 201.7
[M+Na]+ 466.080858 206.9
[M-H]- 442.084364 198.3
[M+NH4]+ 461.125463 215.8
[M+K]+ 482.054798 201.5
[M+H-H2O]+ 426.088900 191.2
[M+HCOO]- 488.089841 210.4
[M+CH3COO]- 502.105491 215.3
[M+Na-2H]- 464.066306 197.1
[M]+ 443.09109142 203.8
[M]- 443.09218858 203.8
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