CID 22018753

2-(chloromethyl)-4-methoxy-1h-1,3-benzodiazole hydrochloride

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

COC1=CC=CC2=C1N=C(N2)CCl

InChI

InChI=1S/C9H9ClN2O/c1-13-7-4-2-3-6-9(7)12-8(5-10)11-6/h2-4H,5H2,1H3,(H,11,12)

InChIKey

GIDJQLYMQRJVPA-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4-methoxy-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 196.04034 Da
Monoisotopic Mass: 1.9
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]+	197.047616	137.7
[M+Na]+	219.029558	149.7
[M-H]-	195.033064	138.8
[M+NH4]+	214.074163	158.0
[M+K]+	235.003498	144.5
[M+H-H2O]+	179.037600	131.5
[M+HCOO]-	241.038541	155.7
[M+CH3COO]-	255.054191	151.5
[M+Na-2H]-	217.015006	145.0
[M]+	196.03979142	141.8
[M]-	196.04088858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe