CID 23436829

3-iodo-5-nitropyridine

Structural Information

Molecular Formula
C5H3IN2O2
SMILES
C1=C(C=NC=C1I)[N+](=O)[O-]
InChI
InChI=1S/C5H3IN2O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H
InChIKey
HDZLPAJJGVYASR-UHFFFAOYSA-N
Compound name
3-iodo-5-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

249.92392 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.93120 136.4
[M+Na]+ 272.91314 138.0
[M-H]- 248.91664 132.4
[M+NH4]+ 267.95774 150.9
[M+K]+ 288.88708 138.8
[M+H-H2O]+ 232.92118 131.0
[M+HCOO]- 294.92212 156.6
[M+CH3COO]- 308.93777 176.5
[M+Na-2H]- 270.89859 134.0
[M]+ 249.92337 132.2
[M]- 249.92447 132.2
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