CID 457003

Chembl134722

Structural Information

Molecular Formula
C18H14Cl2N2O
SMILES
C1C2=CC=CC=C2C(O1)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H14Cl2N2O/c19-14-5-6-16(17(20)9-14)18(11-22-8-7-21-12-22)15-4-2-1-3-13(15)10-23-18/h1-9,12H,10-11H2
InChIKey
RSQAKYTWULYVRE-UHFFFAOYSA-N
Compound name
1-[[1-(2,4-dichlorophenyl)-3H-2-benzofuran-1-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

344.0483 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05558 179.3
[M+Na]+ 367.03752 190.6
[M-H]- 343.04102 187.6
[M+NH4]+ 362.08212 196.2
[M+K]+ 383.01146 183.8
[M+H-H2O]+ 327.04556 170.4
[M+HCOO]- 389.04650 190.2
[M+CH3COO]- 403.06215 190.7
[M+Na-2H]- 365.02297 180.9
[M]+ 344.04775 183.7
[M]- 344.04885 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe