CID 11055142

100361-18-0

Structural Information

Molecular Formula

C₁₂H₈ClFN₂O₃

SMILES

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

InChI

InChI=1S/C12H8ClFN2O3/c13-10-8(14)3-6-9(17)7(12(18)19)4-16(5-1-2-5)11(6)15-10/h3-5H,1-2H2,(H,18,19)

InChIKey

OXNZWNNMJBOZQO-UHFFFAOYSA-N

Compound name

7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 657
Patents: 282.02075 Da
Monoisotopic Mass: 3.4
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]+	283.02803	159.1
[M+Na]+	305.00997	174.4
[M+NH4]+	300.05457	166.2
[M+K]+	320.98391	169.9
[M-H]-	281.01347	166.2
[M+Na-2H]-	302.99542	166.6
[M]+	282.02020	164.5
[M]-	282.02130	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe