CID 14696378

5043-21-0

Structural Information

Molecular Formula

C₁₁H₇BrO₂

SMILES

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

InChI

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

InChIKey

IZHZECRBGYWGJP-UHFFFAOYSA-N

Compound name

8-bromonaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 249.96294 Da
Monoisotopic Mass: 3.5
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]+	250.97022	144.6
[M+Na]+	272.95216	156.6
[M-H]-	248.95566	150.9
[M+NH4]+	267.99676	165.9
[M+K]+	288.92610	145.2
[M+H-H2O]+	232.96020	145.2
[M+HCOO]-	294.96114	164.0
[M+CH3COO]-	308.97679	188.7
[M+Na-2H]-	270.93761	152.6
[M]+	249.96239	163.0
[M]-	249.96349	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe