CID 53403789

2-(tributylstannyl)-4-(trifluoromethyl)-1,3-thiazole

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

3
Patents

443.09164 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.09892 201.7
[M+Na]+ 466.08086 206.9
[M-H]- 442.08436 198.3
[M+NH4]+ 461.12546 215.8
[M+K]+ 482.05480 201.5
[M+H-H2O]+ 426.08890 191.2
[M+HCOO]- 488.08984 210.4
[M+CH3COO]- 502.10549 215.3
[M+Na-2H]- 464.06631 197.1
[M]+ 443.09109 203.8
[M]- 443.09219 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