CID 4549852

6-bromo-2-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₇BrO₂

SMILES

C1=CC2=C(C=CC(=C2)Br)C=C1C(=O)O

InChI

InChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)

InChIKey

NPMCAVBMOTZUPD-UHFFFAOYSA-N

Compound name

6-bromonaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1079
Patents: 249.96294 Da
Monoisotopic Mass: 4.0
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]+	250.970216	144.6
[M+Na]+	272.952158	156.6
[M-H]-	248.955664	150.9
[M+NH4]+	267.996763	165.9
[M+K]+	288.926098	145.2
[M+H-H2O]+	232.960200	145.2
[M+HCOO]-	294.961141	164.0
[M+CH3COO]-	308.976791	188.7
[M+Na-2H]-	270.937606	152.6
[M]+	249.96239142	163.0
[M]-	249.96348858	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe