CID 561828

1-(benzyloxy)-2-bromobenzene

Structural Information

Molecular Formula

C₁₃H₁₁BrO

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2Br

InChI

InChI=1S/C13H11BrO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

NBHAHMHUMMWFPJ-UHFFFAOYSA-N

Compound name

1-bromo-2-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 579
Patents: 261.99933 Da
Monoisotopic Mass: 4.0
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]+	263.006606	149.9
[M+Na]+	284.988548	160.7
[M-H]-	260.992054	159.0
[M+NH4]+	280.033153	170.1
[M+K]+	300.962488	149.5
[M+H-H2O]+	244.996590	149.4
[M+HCOO]-	306.997531	172.3
[M+CH3COO]-	321.013181	192.1
[M+Na-2H]-	282.973996	158.5
[M]+	261.99878142	169.0
[M]-	261.99987858	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe