CID 10586676

214470-55-0

Structural Information

Molecular Formula

C₁₂H₉ClN₂O₂

SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)Cl)OC

InChI

InChI=1S/C12H9ClN2O2/c1-16-10-3-8-9(4-11(10)17-2)15-6-7(5-14)12(8)13/h3-4,6H,1-2H3

InChIKey

HMLOMVBFQJAMCN-UHFFFAOYSA-N

Compound name

4-chloro-6,7-dimethoxyquinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 248.03525 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]+	249.04253	149.9
[M+Na]+	271.02447	165.0
[M+NH4]+	266.06907	155.2
[M+K]+	286.99841	154.4
[M-H]-	247.02797	145.1
[M+Na-2H]-	269.00992	154.3
[M]+	248.03470	150.3
[M]-	248.03580	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe