CID 137462526

2273883-66-0

Structural Information

Molecular Formula

C₅H₂ClIN₂O₃

SMILES

C1=C(C(=C(C(=O)N1)[N+](=O)[O-])Cl)I

InChI

InChI=1S/C5H2ClIN2O3/c6-3-2(7)1-8-5(10)4(3)9(11)12/h1H,(H,8,10)

InChIKey

VJWPUBQVUGCZGO-UHFFFAOYSA-N

Compound name

4-chloro-5-iodo-3-nitro-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 299.87988 Da
Monoisotopic Mass: 0.8
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]+	300.88716	143.2
[M+Na]+	322.86910	146.5
[M-H]-	298.87260	138.2
[M+NH4]+	317.91370	156.3
[M+K]+	338.84304	144.8
[M+H-H2O]+	282.87714	139.2
[M+HCOO]-	344.87808	158.0
[M+CH3COO]-	358.89373	180.7
[M+Na-2H]-	320.85455	138.8
[M]+	299.87933	140.4
[M]-	299.88043	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe