CID 193452

10262-65-4

Structural Information

Molecular Formula

C₁₃H₁₁BrO₂

SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)CBr

InChI

InChI=1S/C13H11BrO2/c1-16-12-5-4-9-6-11(13(15)8-14)3-2-10(9)7-12/h2-7H,8H2,1H3

InChIKey

HHHKEQGAGUAOQI-UHFFFAOYSA-N

Compound name

2-bromo-1-(6-methoxynaphthalen-2-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 51
Patents: 277.99423 Da
Monoisotopic Mass: 3.6
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]+	279.00151	149.5
[M+Na]+	300.98345	154.3
[M+NH4]+	296.02805	155.0
[M+K]+	316.95739	153.2
[M-H]-	276.98695	150.9
[M+Na-2H]-	298.96890	153.6
[M]+	277.99368	149.5
[M]-	277.99478	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe