CID 24699040

4-chloro-6,8-dimethoxyquinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H9ClN2O2
SMILES
COC1=CC2=C(C(=CN=C2C(=C1)OC)C#N)Cl
InChI
InChI=1S/C12H9ClN2O2/c1-16-8-3-9-11(13)7(5-14)6-15-12(9)10(4-8)17-2/h3-4,6H,1-2H3
InChIKey
MAHAGCBLKSSMFB-UHFFFAOYSA-N
Compound name
4-chloro-6,8-dimethoxyquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.