CID 15636881

130579-27-0

Structural Information

Molecular Formula

C₁₃H₁₀FNO₄

SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)O)F)C(=O)O

InChI

InChI=1S/C13H10FNO4/c14-9-3-7-10(4-11(9)16)15(6-1-2-6)5-8(12(7)17)13(18)19/h3-6,16H,1-2H2,(H,18,19)

InChIKey

GLPHFHRWJZECNZ-UHFFFAOYSA-N

Compound name

1-cyclopropyl-6-fluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 263.0594 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.06668	159.6
[M+Na]+	286.04862	173.3
[M+NH4]+	281.09322	166.2
[M+K]+	302.02256	169.8
[M-H]-	262.05212	166.6
[M+Na-2H]-	284.03407	166.1
[M]+	263.05885	164.4
[M]-	263.05995	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe