CID 66545127

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

Structural Information

Molecular Formula
C7H4IN3O2
SMILES
C1=CN2C(=CN=C2C(=C1)[N+](=O)[O-])I
InChI
InChI=1S/C7H4IN3O2/c8-6-4-9-7-5(11(12)13)2-1-3-10(6)7/h1-4H
InChIKey
NXDLLAQQLKPVLM-UHFFFAOYSA-N
Compound name
3-iodo-8-nitroimidazo[1,2-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9348 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.94208 139.9
[M+Na]+ 311.92402 143.4
[M-H]- 287.92752 136.1
[M+NH4]+ 306.96862 154.6
[M+K]+ 327.89796 142.9
[M+H-H2O]+ 271.93206 133.8
[M+HCOO]- 333.93300 160.3
[M+CH3COO]- 347.94865 183.3
[M+Na-2H]- 309.90947 138.5
[M]+ 288.93425 138.0
[M]- 288.93535 138.0
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.