CID 165813841

2-bromo-5-methyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine

Structural Information

Molecular Formula
C8H4BrF3N2S
SMILES
CC1=CC(=C2C(=N1)N=C(S2)Br)C(F)(F)F
InChI
InChI=1S/C8H4BrF3N2S/c1-3-2-4(8(10,11)12)5-6(13-3)14-7(9)15-5/h2H,1H3
InChIKey
ZHWRERNTRYBPJK-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-7-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.92307 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.93035 145.8
[M+Na]+ 318.91229 163.2
[M-H]- 294.91579 148.8
[M+NH4]+ 313.95689 167.0
[M+K]+ 334.88623 150.5
[M+H-H2O]+ 278.92033 144.5
[M+HCOO]- 340.92127 158.9
[M+CH3COO]- 354.93692 195.5
[M+Na-2H]- 316.89774 151.3
[M]+ 295.92252 165.8
[M]- 295.92362 165.8
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

No patent data available for this compound.