CID 12322580

4-chloro-7-nitroquinoline

Structural Information

Molecular Formula

C₉H₅ClN₂O₂

SMILES

C1=CC2=C(C=CN=C2C=C1[N+](=O)[O-])Cl

InChI

InChI=1S/C9H5ClN2O2/c10-8-3-4-11-9-5-6(12(13)14)1-2-7(8)9/h1-5H

InChIKey

UPZGWWDLHRREJM-UHFFFAOYSA-N

Compound name

4-chloro-7-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 208.00395 Da
Monoisotopic Mass: 2.8
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]+	209.01123	136.2
[M+Na]+	230.99317	153.1
[M+NH4]+	226.03777	146.0
[M+K]+	246.96711	147.7
[M-H]-	206.99667	140.6
[M+Na-2H]-	228.97862	144.6
[M]+	208.00340	140.2
[M]-	208.00450	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe