CID 43142920

4-(4-bromophenoxy)pyridine-2-carboxylic acid

Structural Information

Molecular Formula

C₁₂H₈BrNO₃

SMILES

C1=CC(=CC=C1OC2=CC(=NC=C2)C(=O)O)Br

InChI

InChI=1S/C12H8BrNO3/c13-8-1-3-9(4-2-8)17-10-5-6-14-11(7-10)12(15)16/h1-7H,(H,15,16)

InChIKey

QYTVMHYYNWIRDP-UHFFFAOYSA-N

Compound name

4-(4-bromophenoxy)pyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.96875 Da
Monoisotopic Mass: 2.9
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]+	293.976026	153.0
[M+Na]+	315.957968	164.2
[M-H]-	291.961474	160.0
[M+NH4]+	311.002573	170.0
[M+K]+	331.931908	153.1
[M+H-H2O]+	275.966010	151.8
[M+HCOO]-	337.966951	172.6
[M+CH3COO]-	351.982601	194.2
[M+Na-2H]-	313.943416	160.1
[M]+	292.96820142	172.4
[M]-	292.96929858	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.