CID 10131028

1-benzyl-5-(chloromethyl)-1h-imidazole

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂

SMILES

C1=CC=C(C=C1)CN2C=NC=C2CCl

InChI

InChI=1S/C11H11ClN2/c12-6-11-7-13-9-14(11)8-10-4-2-1-3-5-10/h1-5,7,9H,6,8H2

InChIKey

GQOQUUCIZBMRMZ-UHFFFAOYSA-N

Compound name

1-benzyl-5-(chloromethyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 206.06108 Da
Monoisotopic Mass: 2.0
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]+	207.06836	143.3
[M+Na]+	229.05030	158.6
[M+NH4]+	224.09490	152.7
[M+K]+	245.02424	151.6
[M-H]-	205.05380	146.9
[M+Na-2H]-	227.03575	152.8
[M]+	206.06053	146.8
[M]-	206.06163	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe