CID 130091037

6-chloro-3-nitroimidazo[1,2-a]pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C8H4ClN3O3
SMILES
C1=CC2=NC(=C(N2C=C1Cl)[N+](=O)[O-])C=O
InChI
InChI=1S/C8H4ClN3O3/c9-5-1-2-7-10-6(4-13)8(12(14)15)11(7)3-5/h1-4H
InChIKey
DPQGGTXGTOYJEY-UHFFFAOYSA-N
Compound name
6-chloro-3-nitroimidazo[1,2-a]pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.99413 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.00141 141.7
[M+Na]+ 247.98335 153.5
[M-H]- 223.98685 144.7
[M+NH4]+ 243.02795 160.4
[M+K]+ 263.95729 145.5
[M+H-H2O]+ 207.99139 140.1
[M+HCOO]- 269.99233 162.7
[M+CH3COO]- 284.00798 180.5
[M+Na-2H]- 245.96880 150.8
[M]+ 224.99358 145.5
[M]- 224.99468 145.5
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.