CID 52897361

6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H4BrFN2O2
SMILES
C1=CC2=NC(=C(N2C=C1Br)F)C(=O)O
InChI
InChI=1S/C8H4BrFN2O2/c9-4-1-2-5-11-6(8(13)14)7(10)12(5)3-4/h1-3H,(H,13,14)
InChIKey
MGXIGYUASCWVSB-UHFFFAOYSA-N
Compound name
6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

257.94403 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95131 142.8
[M+Na]+ 280.93325 158.1
[M-H]- 256.93675 146.4
[M+NH4]+ 275.97785 163.5
[M+K]+ 296.90719 146.5
[M+H-H2O]+ 240.94129 142.1
[M+HCOO]- 302.94223 162.1
[M+CH3COO]- 316.95788 188.6
[M+Na-2H]- 278.91870 149.7
[M]+ 257.94348 162.7
[M]- 257.94458 162.7
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

patents stripe