CID 328431

2-chloro-4-methyl-6-nitroquinoline

Structural Information

Molecular Formula

C₁₀H₇ClN₂O₂

SMILES

CC1=CC(=NC2=C1C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H7ClN2O2/c1-6-4-10(11)12-9-3-2-7(13(14)15)5-8(6)9/h2-5H,1H3

InChIKey

PTZXWOQFSDHSDM-UHFFFAOYSA-N

Compound name

2-chloro-4-methyl-6-nitroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 222.0196 Da
Monoisotopic Mass: 3.3
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]+	223.02688	140.9
[M+Na]+	245.00882	157.9
[M+NH4]+	240.05342	150.6
[M+K]+	260.98276	152.5
[M-H]-	221.01232	145.3
[M+Na-2H]-	242.99427	148.8
[M]+	222.01905	144.9
[M]-	222.02015	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe