CID 4517426

8-chloro-6-nitroquinoline

Structural Information

Molecular Formula

C₉H₅ClN₂O₂

SMILES

C1=CC2=CC(=CC(=C2N=C1)Cl)[N+](=O)[O-]

InChI

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

InChIKey

KOJHKILJCNOEEU-UHFFFAOYSA-N

Compound name

8-chloro-6-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.00395 Da
Monoisotopic Mass: 2.5
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]+	209.011226	137.9
[M+Na]+	230.993168	147.5
[M-H]-	206.996674	141.3
[M+NH4]+	226.037773	156.6
[M+K]+	246.967108	139.5
[M+H-H2O]+	191.001210	136.7
[M+HCOO]-	253.002151	157.5
[M+CH3COO]-	267.017801	178.9
[M+Na-2H]-	228.978616	148.4
[M]+	208.00340142	138.8
[M]-	208.00449858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe