CID 230595

2-(4-bromophenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula

C₁₆H₁₀BrNO₂

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C16H10BrNO2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,(H,19,20)

InChIKey

JEUYPXDMAWIMOG-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)quinoline-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 25
Patents: 326.9895 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]+	327.99678	165.6
[M+Na]+	349.97872	177.1
[M-H]-	325.98222	173.3
[M+NH4]+	345.02332	182.3
[M+K]+	365.95266	164.7
[M+H-H2O]+	309.98676	164.2
[M+HCOO]-	371.98770	183.4
[M+CH3COO]-	386.00335	178.8
[M+Na-2H]-	347.96417	172.6
[M]+	326.98895	184.0
[M]-	326.99005	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe