CID 13477022

Methyl 5-bromo-2-naphthoate

Structural Information

Molecular Formula

C₁₂H₉BrO₂

SMILES

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

InChI

InChI=1S/C12H9BrO2/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13/h2-7H,1H3

InChIKey

KNUWUXJWMBRWJM-UHFFFAOYSA-N

Compound name

methyl 5-bromonaphthalene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 80
Patents: 263.97858 Da
Monoisotopic Mass: 3.7
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]+	264.98586	144.9
[M+Na]+	286.96780	149.9
[M+NH4]+	282.01240	150.5
[M+K]+	302.94174	149.1
[M-H]-	262.97130	146.3
[M+Na-2H]-	284.95325	149.3
[M]+	263.97803	144.9
[M]-	263.97913	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe