CID 11140639

2-chloro-3-iodo-5-nitropyridine

Structural Information

Molecular Formula

C₅H₂ClIN₂O₂

SMILES

C1=C(C=NC(=C1I)Cl)[N+](=O)[O-]

InChI

InChI=1S/C5H2ClIN2O2/c6-5-4(7)1-3(2-8-5)9(10)11/h1-2H

InChIKey

KUMMEUQAQSZVOD-UHFFFAOYSA-N

Compound name

2-chloro-3-iodo-5-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 283.88495 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.89223	140.2
[M+Na]+	306.87417	142.9
[M-H]-	282.87767	136.1
[M+NH4]+	301.91877	154.4
[M+K]+	322.84811	142.2
[M+H-H2O]+	266.88221	135.8
[M+HCOO]-	328.88315	156.0
[M+CH3COO]-	342.89880	181.2
[M+Na-2H]-	304.85962	136.8
[M]+	283.88440	138.1
[M]-	283.88550	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe