CID 71699973

3-iodo-5-nitropyridin-4-amine

Structural Information

Molecular Formula
C5H4IN3O2
SMILES
C1=C(C(=C(C=N1)I)N)[N+](=O)[O-]
InChI
InChI=1S/C5H4IN3O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,(H2,7,8)
InChIKey
GJYGOVTVBJLGNE-UHFFFAOYSA-N
Compound name
3-iodo-5-nitropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.9348 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.