CID 72207599

1234615-99-6

Structural Information

Molecular Formula
C7H4BrN3O2
SMILES
C1=CN2C(=NC=C2Br)C=C1[N+](=O)[O-]
InChI
InChI=1S/C7H4BrN3O2/c8-6-4-9-7-3-5(11(12)13)1-2-10(6)7/h1-4H
InChIKey
VCAJFNRBOCVBIX-UHFFFAOYSA-N
Compound name
3-bromo-7-nitroimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.94868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95596 139.8
[M+Na]+ 263.93790 153.6
[M-H]- 239.94140 145.8
[M+NH4]+ 258.98250 160.8
[M+K]+ 279.91184 139.3
[M+H-H2O]+ 223.94594 143.4
[M+HCOO]- 285.94688 163.2
[M+CH3COO]- 299.96253 182.1
[M+Na-2H]- 261.92335 151.4
[M]+ 240.94813 159.7
[M]- 240.94923 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

No patent data available for this compound.