CID 79399831

4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole

Structural Information

Molecular Formula
C5H3BrF3NOS
SMILES
C1=C(N=C(S1)OCC(F)(F)F)Br
InChI
InChI=1S/C5H3BrF3NOS/c6-3-1-12-4(10-3)11-2-5(7,8)9/h1H,2H2
InChIKey
IVZARVONFQIONR-UHFFFAOYSA-N
Compound name
4-bromo-2-(2,2,2-trifluoroethoxy)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.90707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.91435 138.0
[M+Na]+ 283.89629 152.5
[M-H]- 259.89979 140.4
[M+NH4]+ 278.94089 160.0
[M+K]+ 299.87023 141.4
[M+H-H2O]+ 243.90433 136.5
[M+HCOO]- 305.90527 152.0
[M+CH3COO]- 319.92092 187.2
[M+Na-2H]- 281.88174 142.4
[M]+ 260.90652 156.4
[M]- 260.90762 156.4
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

No patent data available for this compound.