CID 468855

199594-60-0

Structural Information

Molecular Formula

C₂₀H₁₄F₂N₂

SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=C(C=CC=C4F)F

InChI

InChI=1S/C20H14F2N2/c21-15-9-6-10-16(22)19(15)20-23-17-11-4-5-12-18(17)24(20)13-14-7-2-1-3-8-14/h1-12H,13H2

InChIKey

KMDLTYJFNYHMHA-UHFFFAOYSA-N

Compound name

1-benzyl-2-(2,6-difluorophenyl)benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 320.11252 Da
Monoisotopic Mass: 4.9
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]+	321.11980	173.6
[M+Na]+	343.10174	185.2
[M-H]-	319.10524	180.0
[M+NH4]+	338.14634	188.0
[M+K]+	359.07568	176.8
[M+H-H2O]+	303.10978	161.7
[M+HCOO]-	365.11072	194.3
[M+CH3COO]-	379.12637	185.1
[M+Na-2H]-	341.08719	177.5
[M]+	320.11197	173.6
[M]-	320.11307	173.6

Literature stripe

literature stripe

Patent stripe

patents stripe