CID 1479088

Ethyl 4-chloro-6-fluoroquinoline-3-carboxylate

Structural Information

Molecular Formula
C12H9ClFNO2
SMILES
CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)F
InChI
InChI=1S/C12H9ClFNO2/c1-2-17-12(16)9-6-15-10-4-3-7(14)5-8(10)11(9)13/h3-6H,2H2,1H3
InChIKey
PPHSOQWURBALSQ-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-fluoroquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

253.03058 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.037856 149.4
[M+Na]+ 276.019798 160.6
[M-H]- 252.023304 151.8
[M+NH4]+ 271.064403 167.6
[M+K]+ 291.993738 155.8
[M+H-H2O]+ 236.027840 142.4
[M+HCOO]- 298.028781 165.6
[M+CH3COO]- 312.044431 193.7
[M+Na-2H]- 274.005246 155.0
[M]+ 253.03003142 153.4
[M]- 253.03112858 153.4
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