CID 53419685

Methyl 4-chloro-8-fluoroquinoline-2-carboxylate

Structural Information

Molecular Formula
C11H7ClFNO2
SMILES
COC(=O)C1=NC2=C(C=CC=C2F)C(=C1)Cl
InChI
InChI=1S/C11H7ClFNO2/c1-16-11(15)9-5-7(12)6-3-2-4-8(13)10(6)14-9/h2-5H,1H3
InChIKey
IQOPIADCDCRFNV-UHFFFAOYSA-N
Compound name
methyl 4-chloro-8-fluoroquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.01494 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.02222 144.6
[M+Na]+ 262.00416 156.2
[M-H]- 238.00766 147.2
[M+NH4]+ 257.04876 163.4
[M+K]+ 277.97810 151.7
[M+H-H2O]+ 222.01220 137.8
[M+HCOO]- 284.01314 161.1
[M+CH3COO]- 298.02879 190.7
[M+Na-2H]- 259.98961 150.8
[M]+ 239.01439 148.2
[M]- 239.01549 148.2
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