CID 609884

75001-63-7

Structural Information

Molecular Formula
C12H11FN2O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N)F)C(=O)O
InChI
InChI=1S/C12H11FN2O3/c1-2-15-5-7(12(17)18)11(16)6-3-8(13)9(14)4-10(6)15/h3-5H,2,14H2,1H3,(H,17,18)
InChIKey
VVWOYRFKKIVWJQ-UHFFFAOYSA-N
Compound name
7-amino-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

11
Patents

250.07536 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08264 151.7
[M+Na]+ 273.06458 162.7
[M-H]- 249.06808 153.0
[M+NH4]+ 268.10918 168.2
[M+K]+ 289.03852 158.5
[M+H-H2O]+ 233.07262 144.3
[M+HCOO]- 295.07356 171.5
[M+CH3COO]- 309.08921 196.7
[M+Na-2H]- 271.05003 155.1
[M]+ 250.07481 151.6
[M]- 250.07591 151.6
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

No patent data available for this compound.