CID 83678820

1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=CC2=C(N=C(N2C=C1)C(=O)O)Br
InChI
InChI=1S/C8H5BrN2O2/c9-6-5-3-1-2-4-11(5)7(10-6)8(12)13/h1-4H,(H,12,13)
InChIKey
ZHBCSASHICLCOL-UHFFFAOYSA-N
Compound name
1-bromoimidazo[1,5-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.95345 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96073 139.6
[M+Na]+ 262.94267 153.9
[M-H]- 238.94617 144.1
[M+NH4]+ 257.98727 160.7
[M+K]+ 278.91661 142.9
[M+H-H2O]+ 222.95071 139.6
[M+HCOO]- 284.95165 159.8
[M+CH3COO]- 298.96730 185.0
[M+Na-2H]- 260.92812 147.8
[M]+ 239.95290 160.1
[M]- 239.95400 160.1
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.