CID 21827354

3-bromo-6-nitroimidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=CC2=NC=C(N2C=C1[N+](=O)[O-])Br
InChI
InChI=1S/C7H4BrN3O2/c8-6-3-9-7-2-1-5(11(12)13)4-10(6)7/h1-4H
InChIKey
LEZQAJJLSXPPRZ-UHFFFAOYSA-N
Compound name
3-bromo-6-nitroimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.94868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.955956 139.8
[M+Na]+ 263.937898 153.6
[M-H]- 239.941404 145.8
[M+NH4]+ 258.982503 160.8
[M+K]+ 279.911838 139.3
[M+H-H2O]+ 223.945940 143.4
[M+HCOO]- 285.946881 163.2
[M+CH3COO]- 299.962531 182.1
[M+Na-2H]- 261.923346 151.4
[M]+ 240.94813142 159.7
[M]- 240.94922858 159.7
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