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

70
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 149.4
[M+Na]+ 276.01980 160.6
[M-H]- 252.02330 151.8
[M+NH4]+ 271.06440 167.6
[M+K]+ 291.99374 155.8
[M+H-H2O]+ 236.02784 142.4
[M+HCOO]- 298.02878 165.6
[M+CH3COO]- 312.04443 193.7
[M+Na-2H]- 274.00525 155.0
[M]+ 253.03003 153.4
[M]- 253.03113 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