CID 2762909

3-chloro-4-nitropyridine

Structural Information

Molecular Formula

C₅H₃ClN₂O₂

SMILES

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

InChI

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

InChIKey

CWLVEHGKYCYAIO-UHFFFAOYSA-N

Compound name

3-chloro-4-nitropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 157.98831 Da
Monoisotopic Mass: 1.3
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]+	158.99559	125.1
[M+Na]+	180.97753	134.4
[M-H]-	156.98103	127.7
[M+NH4]+	176.02213	144.7
[M+K]+	196.95147	128.0
[M+H-H2O]+	140.98557	124.6
[M+HCOO]-	202.98651	146.3
[M+CH3COO]-	217.00216	168.2
[M+Na-2H]-	178.96298	135.1
[M]+	157.98776	125.2
[M]-	157.98886	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe