CID 138835

4-benzyloxybromobenzene

Structural Information

Molecular Formula

C₁₃H₁₁BrO

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)Br

InChI

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

InChIKey

OUQSGILAXUXMGI-UHFFFAOYSA-N

Compound name

1-bromo-4-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1705
Patents: 261.99933 Da
Monoisotopic Mass: 4.5
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]+	263.00661	148.0
[M+Na]+	284.98855	154.2
[M+NH4]+	280.03315	154.3
[M+K]+	300.96249	151.8
[M-H]-	260.99205	151.7
[M+Na-2H]-	282.97400	155.5
[M]+	261.99878	149.0
[M]-	261.99988	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe