CID 11708609

16726-66-2

Structural Information

Molecular Formula

C₁₁H₇BrO₂

SMILES

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

InChI

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

InChIKey

SBGVNBGHCCLMRR-UHFFFAOYSA-N

Compound name

3-bromonaphthalene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 249.96294 Da
Monoisotopic Mass: 3.8
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