CID 483180

86393-33-1

Structural Information

Molecular Formula

C₁₃H₉ClFNO₃

SMILES

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

InChI

InChI=1S/C13H9ClFNO3/c14-9-4-11-7(3-10(9)15)12(17)8(13(18)19)5-16(11)6-1-2-6/h3-6H,1-2H2,(H,18,19)

InChIKey

ISPVACVJFUIDPD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 649
Patents: 281.0255 Da
Monoisotopic Mass: 2.4
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]+	282.03278	158.2
[M+Na]+	304.01472	173.6
[M+NH4]+	299.05932	166.0
[M+K]+	319.98866	168.7
[M-H]-	280.01822	166.1
[M+Na-2H]-	302.00017	166.1
[M]+	281.02495	163.9
[M]-	281.02605	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe