CID 625773

329222-93-7

Structural Information

Molecular Formula

C₁₄H₈ClNO₂S

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)O

InChI

InChI=1S/C14H8ClNO2S/c15-13-6-5-12(19-13)11-7-9(14(17)18)8-3-1-2-4-10(8)16-11/h1-7H,(H,17,18)

InChIKey

GNBCDNSGZAPUEF-UHFFFAOYSA-N

Compound name

2-(5-chlorothiophen-2-yl)quinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 3
Patents: 288.99643 Da
Monoisotopic Mass: 4.1
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]+	290.00371	160.2
[M+Na]+	311.98565	176.4
[M+NH4]+	307.03025	169.8
[M+K]+	327.95959	168.0
[M-H]-	287.98915	164.4
[M+Na-2H]-	309.97110	168.5
[M]+	288.99588	164.6
[M]-	288.99698	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe