CID 393988

3156-18-1

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O

SMILES

C1=CC=C2C(=C1)NC(=N2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN2O/c15-10-5-7-11(8-6-10)18-9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)

InChIKey

ITCRYYSSWFKZJM-UHFFFAOYSA-N

Compound name

2-[(4-chlorophenoxy)methyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 43
Patents: 258.056 Da
Monoisotopic Mass: 3.9
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]+	259.06328	155.0
[M+Na]+	281.04522	172.0
[M+NH4]+	276.08982	164.4
[M+K]+	297.01916	164.6
[M-H]-	257.04872	159.0
[M+Na-2H]-	279.03067	164.7
[M]+	258.05545	159.0
[M]-	258.05655	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe