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]+ 249.042526 150.2
[M+Na]+ 271.024468 164.0
[M-H]- 247.027974 153.3
[M+NH4]+ 266.069073 167.0
[M+K]+ 286.998408 158.1
[M+H-H2O]+ 231.032510 137.8
[M+HCOO]- 293.033451 165.1
[M+CH3COO]- 307.049101 204.9
[M+Na-2H]- 269.009916 156.3
[M]+ 248.03470142 151.0
[M]- 248.03579858 151.0
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.