CID 563507

1-(benzyloxy)-2-(chloromethyl)benzene

Structural Information

Molecular Formula

C₁₄H₁₃ClO

SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2CCl

InChI

InChI=1S/C14H13ClO/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9H,10-11H2

InChIKey

OFFXBUAZOPRAJX-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 232.06549 Da
Monoisotopic Mass: 2.9
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]+	233.07277	149.9
[M+Na]+	255.05471	166.8
[M+NH4]+	250.09931	160.4
[M+K]+	271.02865	156.7
[M-H]-	231.05821	155.7
[M+Na-2H]-	253.04016	161.2
[M]+	232.06494	154.6
[M]-	232.06604	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe