CID 125449016

8-bromo-3-formylimidazo[1,2-a]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=C(C2=NC=C(N2C=C1C(=O)O)C=O)Br
InChI
InChI=1S/C9H5BrN2O3/c10-7-1-5(9(14)15)3-12-6(4-13)2-11-8(7)12/h1-4H,(H,14,15)
InChIKey
BPKVHJWUJZRSPE-UHFFFAOYSA-N
Compound name
8-bromo-3-formylimidazo[1,2-a]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.94836 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.95564 144.9
[M+Na]+ 290.93758 159.7
[M-H]- 266.94108 149.6
[M+NH4]+ 285.98218 165.0
[M+K]+ 306.91152 148.4
[M+H-H2O]+ 250.94562 144.7
[M+HCOO]- 312.94656 165.1
[M+CH3COO]- 326.96221 190.1
[M+Na-2H]- 288.92303 152.0
[M]+ 267.94781 166.8
[M]- 267.94891 166.8
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.