CID 17039808

2-chloro-6-ethoxyquinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H9ClN2O
SMILES
CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C#N
InChI
InChI=1S/C12H9ClN2O/c1-2-16-10-3-4-11-8(6-10)5-9(7-14)12(13)15-11/h3-6H,2H2,1H3
InChIKey
DLSJCLCHOALFAO-UHFFFAOYSA-N
Compound name
2-chloro-6-ethoxyquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

232.04034 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04762 148.2
[M+Na]+ 255.02956 161.4
[M-H]- 231.03306 150.9
[M+NH4]+ 250.07416 165.4
[M+K]+ 271.00350 154.7
[M+H-H2O]+ 215.03760 135.7
[M+HCOO]- 277.03854 162.9
[M+CH3COO]- 291.05419 202.0
[M+Na-2H]- 253.01501 154.8
[M]+ 232.03979 147.4
[M]- 232.04089 147.4
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