CID 468841

199594-83-7

Structural Information

Molecular Formula

C₁₆H₁₂F₂N₂O

SMILES

CC1=C2C(=CC=C1)N(C(=N2)C=O)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C16H12F2N2O/c1-10-4-2-7-14-16(10)19-15(9-21)20(14)8-11-12(17)5-3-6-13(11)18/h2-7,9H,8H2,1H3

InChIKey

CFJPQJGZSJYYIE-UHFFFAOYSA-N

Compound name

1-[(2,6-difluorophenyl)methyl]-4-methylbenzimidazole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 286.09177 Da
Monoisotopic Mass: 3.4
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]+	287.09905	162.4
[M+Na]+	309.08099	175.5
[M-H]-	285.08449	166.3
[M+NH4]+	304.12559	179.1
[M+K]+	325.05493	168.9
[M+H-H2O]+	269.08903	152.3
[M+HCOO]-	331.08997	183.7
[M+CH3COO]-	345.10562	175.2
[M+Na-2H]-	307.06644	165.7
[M]+	286.09122	164.8
[M]-	286.09232	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe