CID 468849

Chembl341442

Structural Information

Molecular Formula

C₂₁H₁₆F₂N₂

SMILES

CC1=CC=CC=C1C2=NC3=CC=CC=C3N2CC4=C(C=CC=C4F)F

InChI

InChI=1S/C21H16F2N2/c1-14-7-2-3-8-15(14)21-24-19-11-4-5-12-20(19)25(21)13-16-17(22)9-6-10-18(16)23/h2-12H,13H2,1H3

InChIKey

QLCZWRNKDSBODL-UHFFFAOYSA-N

Compound name

1-[(2,6-difluorophenyl)methyl]-2-(2-methylphenyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 334.12814 Da
Monoisotopic Mass: 5.3
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]+	335.13542	178.8
[M+Na]+	357.11736	190.8
[M-H]-	333.12086	185.4
[M+NH4]+	352.16196	192.9
[M+K]+	373.09130	182.2
[M+H-H2O]+	317.12540	166.8
[M+HCOO]-	379.12634	199.1
[M+CH3COO]-	393.14199	190.2
[M+Na-2H]-	355.10281	181.3
[M]+	334.12759	179.5
[M]-	334.12869	179.5

Literature stripe

literature stripe

Patent stripe

patents stripe