CID 854165

Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Structural Information

Molecular Formula
C14H13F2NO3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)F)F)C(=O)OCC
InChI
InChI=1S/C14H13F2NO3/c1-3-17-7-9(14(19)20-4-2)13(18)8-5-10(15)11(16)6-12(8)17/h5-7H,3-4H2,1-2H3
InChIKey
CHBYWZMBAWPPHO-UHFFFAOYSA-N
Compound name
ethyl 1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

27
Patents

281.08636 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09364 158.2
[M+Na]+ 304.07558 169.8
[M-H]- 280.07908 159.8
[M+NH4]+ 299.12018 174.8
[M+K]+ 320.04952 165.9
[M+H-H2O]+ 264.08362 149.4
[M+HCOO]- 326.08456 177.4
[M+CH3COO]- 340.10021 202.6
[M+Na-2H]- 302.06103 161.1
[M]+ 281.08581 161.1
[M]- 281.08691 161.1
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

patents stripe