CID 466892

Ethyl 2-cyano-6-fluoro-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C13H11FN2O2
SMILES
CCOC(=O)N1C(C=CC2=C1C=CC(=C2)F)C#N
InChI
InChI=1S/C13H11FN2O2/c1-2-18-13(17)16-11(8-15)5-3-9-7-10(14)4-6-12(9)16/h3-7,11H,2H2,1H3
InChIKey
WYGWBTWZKCPATQ-UHFFFAOYSA-N
Compound name
ethyl 2-cyano-6-fluoro-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.08046 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08774 151.8
[M+Na]+ 269.06968 162.7
[M-H]- 245.07318 153.1
[M+NH4]+ 264.11428 167.4
[M+K]+ 285.04362 157.8
[M+H-H2O]+ 229.07772 137.6
[M+HCOO]- 291.07866 167.5
[M+CH3COO]- 305.09431 204.8
[M+Na-2H]- 267.05513 155.9
[M]+ 246.07991 147.1
[M]- 246.08101 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.