CID 13799528

14625-40-2

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

COC1=CC2=C(C=C1)N=C(N2)CCl

InChI

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

InChIKey

WZEWEZMUYDNMCZ-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-6-methoxy-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 196.04034 Da
Monoisotopic Mass: 2.3
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]+	197.04762	137.1
[M+Na]+	219.02956	152.1
[M+NH4]+	214.07416	146.1
[M+K]+	235.00350	146.4
[M-H]-	195.03306	138.4
[M+Na-2H]-	217.01501	144.1
[M]+	196.03979	139.9
[M]-	196.04089	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe