CID 137963998

2,7-dichloro-3-nitroimidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C7H3Cl2N3O2
SMILES
C1=CN2C(=NC(=C2[N+](=O)[O-])Cl)C=C1Cl
InChI
InChI=1S/C7H3Cl2N3O2/c8-4-1-2-11-5(3-4)10-6(9)7(11)12(13)14/h1-3H
InChIKey
REEGKMMALSUWMI-UHFFFAOYSA-N
Compound name
2,7-dichloro-3-nitroimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.96024 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96752 142.4
[M+Na]+ 253.94946 154.4
[M-H]- 229.95296 144.3
[M+NH4]+ 248.99406 161.2
[M+K]+ 269.92340 145.8
[M+H-H2O]+ 213.95750 141.4
[M+HCOO]- 275.95844 157.9
[M+CH3COO]- 289.97409 181.3
[M+Na-2H]- 251.93491 150.7
[M]+ 230.95969 146.0
[M]- 230.96079 146.0
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.