CID 346459

6-chloro-5-nitronicotinic acid

Structural Information

Molecular Formula

C₆H₃ClN₂O₄

SMILES

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

InChI

InChI=1S/C6H3ClN2O4/c7-5-4(9(12)13)1-3(2-8-5)6(10)11/h1-2H,(H,10,11)

InChIKey

HCRHNMXCDNACMH-UHFFFAOYSA-N

Compound name

6-chloro-5-nitropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 201.97813 Da
Monoisotopic Mass: 1.2
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]+	202.98541	133.3
[M+Na]+	224.96735	147.0
[M+NH4]+	220.01195	140.4
[M+K]+	240.94129	145.1
[M-H]-	200.97085	134.5
[M+Na-2H]-	222.95280	139.0
[M]+	201.97758	135.6
[M]-	201.97868	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe