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

223
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 150.2
[M+Na]+ 271.02447 164.0
[M-H]- 247.02797 153.3
[M+NH4]+ 266.06907 167.0
[M+K]+ 286.99841 158.1
[M+H-H2O]+ 231.03251 137.8
[M+HCOO]- 293.03345 165.1
[M+CH3COO]- 307.04910 204.9
[M+Na-2H]- 269.00992 156.3
[M]+ 248.03470 151.0
[M]- 248.03580 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

patents stripe