CID 22018952

103646-11-3

Structural Information

Molecular Formula

C₁₁H₇ClN₂O₄

SMILES

COC(=O)C1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H7ClN2O4/c1-18-11(15)8-5-10(12)13-9-3-2-6(14(16)17)4-7(8)9/h2-5H,1H3

InChIKey

DNEYGZCKYOTCLI-UHFFFAOYSA-N

Compound name

methyl 2-chloro-6-nitroquinoline-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 266.00943 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]+	267.01671	150.3
[M+Na]+	288.99865	165.8
[M+NH4]+	284.04325	158.2
[M+K]+	304.97259	162.0
[M-H]-	265.00215	153.2
[M+Na-2H]-	286.98410	156.6
[M]+	266.00888	153.5
[M]-	266.00998	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe