CID 165815098

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

Structural Information

Molecular Formula
C8H5BrF2N2S
SMILES
CC1=CC(=C2C(=N1)N=C(S2)Br)C(F)F
InChI
InChI=1S/C8H5BrF2N2S/c1-3-2-4(6(10)11)5-7(12-3)13-8(9)14-5/h2,6H,1H3
InChIKey
MWFBIBWZIGMJBH-UHFFFAOYSA-N
Compound name
2-bromo-7-(difluoromethyl)-5-methyl-[1,3]thiazolo[4,5-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9325 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.93978 139.8
[M+Na]+ 300.92172 156.6
[M-H]- 276.92522 143.9
[M+NH4]+ 295.96632 161.6
[M+K]+ 316.89566 144.3
[M+H-H2O]+ 260.92976 139.1
[M+HCOO]- 322.93070 154.5
[M+CH3COO]- 336.94635 155.6
[M+Na-2H]- 298.90717 144.4
[M]+ 277.93195 161.1
[M]- 277.93305 161.1
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.