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

68
Patents

253.03058 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.03786 150.1
[M+Na]+ 276.01980 164.8
[M+NH4]+ 271.06440 158.2
[M+K]+ 291.99374 157.4
[M-H]- 252.02330 150.9
[M+Na-2H]- 274.00525 156.5
[M]+ 253.03003 152.7
[M]- 253.03113 152.7
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