CID 607468

3-chloro-8-nitroimidazo[1,2-a]pyridine

Structural Information

Molecular Formula
C7H4ClN3O2
SMILES
C1=CN2C(=CN=C2C(=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C7H4ClN3O2/c8-6-4-9-7-5(11(12)13)2-1-3-10(6)7/h1-4H
InChIKey
ZFEQCVZXCWHLDL-UHFFFAOYSA-N
Compound name
3-chloro-8-nitroimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.9992 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00648 134.8
[M+Na]+ 219.98842 146.0
[M-H]- 195.99192 137.5
[M+NH4]+ 215.03302 154.5
[M+K]+ 235.96236 138.4
[M+H-H2O]+ 179.99646 133.1
[M+HCOO]- 241.99740 155.8
[M+CH3COO]- 256.01305 175.4
[M+Na-2H]- 217.97387 144.9
[M]+ 196.99865 137.2
[M]- 196.99975 137.2
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.