CID 614526

724-59-4

Structural Information

Molecular Formula

C₁₄H₁₁FN₂

SMILES

CN1C2=CC=CC=C2N=C1C3=CC=C(C=C3)F

InChI

InChI=1S/C14H11FN2/c1-17-13-5-3-2-4-12(13)16-14(17)10-6-8-11(15)9-7-10/h2-9H,1H3

InChIKey

NIOPLOPPKJTSGQ-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-1-methylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 226.09062 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]+	227.09790	147.3
[M+Na]+	249.07984	159.4
[M-H]-	225.08334	152.2
[M+NH4]+	244.12444	166.2
[M+K]+	265.05378	153.7
[M+H-H2O]+	209.08788	138.3
[M+HCOO]-	271.08882	170.1
[M+CH3COO]-	285.10447	161.1
[M+Na-2H]-	247.06529	153.9
[M]+	226.09007	148.6
[M]-	226.09117	148.6

Literature stripe

literature stripe

Patent stripe

patents stripe