CID 126970926

5-bromo-2-iodo-4-(trifluoromethyl)-1,3-thiazole

Structural Information

Molecular Formula
C4BrF3INS
SMILES
C1(=C(SC(=N1)I)Br)C(F)(F)F
InChI
InChI=1S/C4BrF3INS/c5-2-1(4(6,7)8)10-3(9)11-2
InChIKey
DNMDYLHWMLNGGF-UHFFFAOYSA-N
Compound name
5-bromo-2-iodo-4-(trifluoromethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.79315 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.80043 139.3
[M+Na]+ 379.78237 148.1
[M-H]- 355.78587 135.8
[M+NH4]+ 374.82697 157.3
[M+K]+ 395.75631 142.3
[M+H-H2O]+ 339.79041 134.8
[M+HCOO]- 401.79135 149.0
[M+CH3COO]- 415.80700 194.2
[M+Na-2H]- 377.76782 132.4
[M]+ 356.79260 153.2
[M]- 356.79370 153.2
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.