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
1
Annotation Hits

1
References

235
Patents

342.03265 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03993 178.2
[M+Na]+ 365.02187 190.1
[M-H]- 341.02537 187.0
[M+NH4]+ 360.06647 193.3
[M+K]+ 380.99581 183.5
[M+H-H2O]+ 325.02991 169.6
[M+HCOO]- 387.03085 190.7
[M+CH3COO]- 401.04650 190.1
[M+Na-2H]- 363.00732 179.7
[M]+ 342.03210 184.8
[M]- 342.03320 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.