CID 169302

1-(chloromethyl)-2-phenoxybenzene

Structural Information

Molecular Formula

C₁₃H₁₁ClO

SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2CCl

InChI

InChI=1S/C13H11ClO/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9H,10H2

InChIKey

VIGILLBRWRDXDA-UHFFFAOYSA-N

Compound name

1-(chloromethyl)-2-phenoxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 105
Patents: 218.04984 Da
Monoisotopic Mass: 3.8
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]+	219.05712	145.3
[M+Na]+	241.03906	162.3
[M+NH4]+	236.08366	155.9
[M+K]+	257.01300	152.5
[M-H]-	217.04256	151.1
[M+Na-2H]-	239.02451	156.8
[M]+	218.04929	150.0
[M]-	218.05039	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe