CID 10799989

4-chloro-7-methoxy-3-nitroquinoline

Structural Information

Molecular Formula

C₁₀H₇ClN₂O₃

SMILES

COC1=CC2=NC=C(C(=C2C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H7ClN2O3/c1-16-6-2-3-7-8(4-6)12-5-9(10(7)11)13(14)15/h2-5H,1H3

InChIKey

HOCSOOBRPRKXSA-UHFFFAOYSA-N

Compound name

4-chloro-7-methoxy-3-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 238.01453 Da
Monoisotopic Mass: 2.6
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]+	239.02181	143.9
[M+Na]+	261.00375	160.4
[M+NH4]+	256.04835	153.0
[M+K]+	276.97769	155.6
[M-H]-	237.00725	147.8
[M+Na-2H]-	258.98920	151.4
[M]+	238.01398	147.7
[M]-	238.01508	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe