CID 61833183

1292102-46-5

Structural Information

Molecular Formula

C₁₇H₁₅BrO₂

SMILES

C1CC2=C(C=CC(=C2)OCC3=CC=C(C=C3)Br)C(=O)C1

InChI

InChI=1S/C17H15BrO2/c18-14-6-4-12(5-7-14)11-20-15-8-9-16-13(10-15)2-1-3-17(16)19/h4-10H,1-3,11H2

InChIKey

OOMNJGBWGCFPMX-UHFFFAOYSA-N

Compound name

6-[(4-bromophenyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 330.02554 Da
Monoisotopic Mass: 4.2
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]+	331.03282	169.2
[M+Na]+	353.01476	179.2
[M-H]-	329.01826	178.7
[M+NH4]+	348.05936	187.7
[M+K]+	368.98870	167.4
[M+H-H2O]+	313.02280	168.0
[M+HCOO]-	375.02374	187.5
[M+CH3COO]-	389.03939	182.4
[M+Na-2H]-	351.00021	175.1
[M]+	330.02499	187.0
[M]-	330.02609	187.0

Literature stripe

literature stripe

Patent stripe

patents stripe