CID 165995200

2,4-dibromo-5-(trifluoromethyl)-1,3-thiazole

Structural Information

Molecular Formula
C4Br2F3NS
SMILES
C1(=C(N=C(S1)Br)Br)C(F)(F)F
InChI
InChI=1S/C4Br2F3NS/c5-2-1(4(7,8)9)11-3(6)10-2
InChIKey
DCPSDSMTGQTCIG-UHFFFAOYSA-N
Compound name
2,4-dibromo-5-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.80704 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.81432 133.4
[M+Na]+ 331.79626 148.3
[M-H]- 307.79976 137.7
[M+NH4]+ 326.84086 154.0
[M+K]+ 347.77020 132.1
[M+H-H2O]+ 291.80430 140.7
[M+HCOO]- 353.80524 143.9
[M+CH3COO]- 367.82089 201.3
[M+Na-2H]- 329.78171 138.4
[M]+ 308.80649 166.1
[M]- 308.80759 166.1
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.