CID 15027875

133688-90-1

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂O

SMILES

COC1=CC=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN2O/c1-18-13-5-3-2-4-10(13)14-16-11-7-6-9(15)8-12(11)17-14/h2-8H,1H3,(H,16,17)

InChIKey

WWSAAZFBTWUWBD-UHFFFAOYSA-N

Compound name

6-chloro-2-(2-methoxyphenyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 258.056 Da
Monoisotopic Mass: 3.2
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]+	259.063276	155.1
[M+Na]+	281.045218	167.2
[M-H]-	257.048724	159.6
[M+NH4]+	276.089823	172.6
[M+K]+	297.019158	160.2
[M+H-H2O]+	241.053260	147.4
[M+HCOO]-	303.054201	172.8
[M+CH3COO]-	317.069851	168.0
[M+Na-2H]-	279.030666	161.2
[M]+	258.05545142	159.0
[M]-	258.05654858	159.0

Literature stripe

literature stripe

Patent stripe

patents stripe