CID 11623112

2-amino-3-iodo-5-nitropyridine

Structural Information

Molecular Formula
C5H4IN3O2
SMILES
C1=C(C=NC(=C1I)N)[N+](=O)[O-]
InChI
InChI=1S/C5H4IN3O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H,(H2,7,8)
InChIKey
FEADVZZIWYNCBF-UHFFFAOYSA-N
Compound name
3-iodo-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

264.9348 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.94208 143.0
[M+Na]+ 287.92402 144.5
[M-H]- 263.92752 138.8
[M+NH4]+ 282.96862 156.6
[M+K]+ 303.89796 144.8
[M+H-H2O]+ 247.93206 137.3
[M+HCOO]- 309.93300 163.4
[M+CH3COO]- 323.94865 181.2
[M+Na-2H]- 285.90947 139.0
[M]+ 264.93425 137.4
[M]- 264.93535 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe