CID 278860

14225-76-4

Structural Information

Molecular Formula

C₁₄H₁₁ClN₂

SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=CC=CC=C3Cl

InChI

InChI=1S/C14H11ClN2/c1-9-6-7-12-13(8-9)17-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3,(H,16,17)

InChIKey

YYLKUPJJPUHTSI-UHFFFAOYSA-N

Compound name

2-(2-chlorophenyl)-6-methyl-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.06108 Da
Monoisotopic Mass: 4.1
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]+	243.06836	152.0
[M+Na]+	265.05030	164.3
[M-H]-	241.05380	156.5
[M+NH4]+	260.09490	170.4
[M+K]+	281.02424	156.7
[M+H-H2O]+	225.05834	144.5
[M+HCOO]-	287.05928	169.6
[M+CH3COO]-	301.07493	165.2
[M+Na-2H]-	263.03575	158.1
[M]+	242.06053	154.6
[M]-	242.06163	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe