CID 22466763

13669-62-0

Structural Information

Molecular Formula

C₁₁H₇ClN₂O

SMILES

COC1=CC2=C(C(=CN=C2C=C1)C#N)Cl

InChI

InChI=1S/C11H7ClN2O/c1-15-8-2-3-10-9(4-8)11(12)7(5-13)6-14-10/h2-4,6H,1H3

InChIKey

VIKNILFXAQPQEF-UHFFFAOYSA-N

Compound name

4-chloro-6-methoxyquinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 218.02469 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]+	219.03197	144.0
[M+Na]+	241.01391	159.5
[M+NH4]+	236.05851	150.1
[M+K]+	256.98785	148.4
[M-H]-	217.01741	139.7
[M+Na-2H]-	238.99936	149.3
[M]+	218.02414	144.7
[M]-	218.02524	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe