CID 65915

Becliconazole

Structural Information

Molecular Formula

C₁₈H₁₂Cl₂N₂O

SMILES

C1=CC=C(C(=C1)C(C2=CC3=C(O2)C=CC(=C3)Cl)N4C=CN=C4)Cl

InChI

InChI=1S/C18H12Cl2N2O/c19-13-5-6-16-12(9-13)10-17(23-16)18(22-8-7-21-11-22)14-3-1-2-4-15(14)20/h1-11,18H

InChIKey

ZSTBJMFRJPALNV-UHFFFAOYSA-N

Compound name

1-[(5-chloro-1-benzofuran-2-yl)-(2-chlorophenyl)methyl]imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 239
Patents: 342.03265 Da
Monoisotopic Mass: 5.0
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]+	343.039926	178.2
[M+Na]+	365.021868	190.1
[M-H]-	341.025374	187.0
[M+NH4]+	360.066473	193.3
[M+K]+	380.995808	183.5
[M+H-H2O]+	325.029910	169.6
[M+HCOO]-	387.030851	190.7
[M+CH3COO]-	401.046501	190.1
[M+Na-2H]-	363.007316	179.7
[M]+	342.03210142	184.8
[M]-	342.03319858	184.8

Literature stripe

literature stripe

Patent stripe

patents stripe