CID 735152

2-chloro-4-nitropyridine

Structural Information

Molecular Formula

C₅H₃ClN₂O₂

SMILES

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

InChI

InChI=1S/C5H3ClN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H

InChIKey

LIEPVGBDUYKPLC-UHFFFAOYSA-N

Compound name

2-chloro-4-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1422
Patents: 157.98831 Da
Monoisotopic Mass: 1.6
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]+	158.995586	125.1
[M+Na]+	180.977528	134.4
[M-H]-	156.981034	127.7
[M+NH4]+	176.022133	144.7
[M+K]+	196.951468	128.0
[M+H-H2O]+	140.985570	124.6
[M+HCOO]-	202.986511	146.3
[M+CH3COO]-	217.002161	168.2
[M+Na-2H]-	178.962976	135.1
[M]+	157.98776142	125.2
[M]-	157.98885858	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe