CID 9817544

98349-25-8

Structural Information

Molecular Formula
C15H13F2NO3
SMILES
CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)C3CC3
InChI
InChI=1S/C15H13F2NO3/c1-2-21-15(20)10-7-18(8-3-4-8)13-6-12(17)11(16)5-9(13)14(10)19/h5-8H,2-4H2,1H3
InChIKey
QYGNYHKBMNUIJN-UHFFFAOYSA-N
Compound name
ethyl 1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

293.08636 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09364 163.1
[M+Na]+ 316.07558 175.6
[M-H]- 292.07908 168.2
[M+NH4]+ 311.12018 174.2
[M+K]+ 332.04952 169.9
[M+H-H2O]+ 276.08362 153.6
[M+HCOO]- 338.08456 182.2
[M+CH3COO]- 352.10021 206.4
[M+Na-2H]- 314.06103 165.5
[M]+ 293.08581 167.3
[M]- 293.08691 167.3
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