CID 708235

41791-59-7

Structural Information

Molecular Formula

C₁₂H₉BrO₃

SMILES

C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)O

InChI

InChI=1S/C12H9BrO3/c13-12-9-4-2-1-3-8(9)5-6-10(12)16-7-11(14)15/h1-6H,7H2,(H,14,15)

InChIKey

KKZQQUCWIZZKDD-UHFFFAOYSA-N

Compound name

2-(1-bromonaphthalen-2-yl)oxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 279.9735 Da
Monoisotopic Mass: 3.4
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]+	280.98078	149.4
[M+Na]+	302.96272	153.5
[M+NH4]+	298.00732	154.2
[M+K]+	318.93666	153.3
[M-H]-	278.96622	149.9
[M+Na-2H]-	300.94817	152.7
[M]+	279.97295	148.9
[M]-	279.97405	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe