CID 384169

Nsc673460

Structural Information

Molecular Formula

C₉H₄Cl₂N₂O₂

SMILES

C1=C2C=C(C=NC2=C(C=C1Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H4Cl2N2O2/c10-6-1-5-2-7(11)4-12-9(5)8(3-6)13(14)15/h1-4H

InChIKey

HZYKVJJNFZDQPX-UHFFFAOYSA-N

Compound name

3,6-dichloro-8-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.96498 Da
Monoisotopic Mass: 3.2
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]+	242.97226	144.8
[M+Na]+	264.95420	155.2
[M-H]-	240.95770	147.5
[M+NH4]+	259.99880	162.6
[M+K]+	280.92814	146.3
[M+H-H2O]+	224.96224	144.4
[M+HCOO]-	286.96318	159.1
[M+CH3COO]-	300.97883	184.8
[M+Na-2H]-	262.93965	153.5
[M]+	241.96443	147.2
[M]-	241.96553	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.