CID 23087420

722536-73-4

Structural Information

Molecular Formula

C₁₇H₁₅BrO

SMILES

C1CC2=C(C=CC(=C2)OCC3=CC=CC=C3)C=C1Br

InChI

InChI=1S/C17H15BrO/c18-16-8-6-15-11-17(9-7-14(15)10-16)19-12-13-4-2-1-3-5-13/h1-5,7,9-11H,6,8,12H2

InChIKey

YOQXQWKWEAXKTR-UHFFFAOYSA-N

Compound name

3-bromo-7-phenylmethoxy-1,2-dihydronaphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 314.03064 Da
Monoisotopic Mass: 4.9
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]+	315.03792	166.4
[M+Na]+	337.01986	176.4
[M-H]-	313.02336	175.8
[M+NH4]+	332.06446	185.4
[M+K]+	352.99380	164.4
[M+H-H2O]+	297.02790	165.3
[M+HCOO]-	359.02884	185.8
[M+CH3COO]-	373.04449	179.9
[M+Na-2H]-	335.00531	173.8
[M]+	314.03009	184.4
[M]-	314.03119	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe