CID 3012223

Chembl188419

Structural Information

Molecular Formula
C18H15Cl2FN2O
SMILES
C1=CC(=CC=C1C(CCN2C=CN=C2)OC3=C(C=C(C=C3)Cl)Cl)F
InChI
InChI=1S/C18H15Cl2FN2O/c19-14-3-6-18(16(20)11-14)24-17(7-9-23-10-8-22-12-23)13-1-4-15(21)5-2-13/h1-6,8,10-12,17H,7,9H2
InChIKey
QWLPIMDLAOWIDI-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dichlorophenoxy)-3-(4-fluorophenyl)propyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.05453 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06181 180.3
[M+Na]+ 387.04375 189.8
[M-H]- 363.04725 185.2
[M+NH4]+ 382.08835 192.9
[M+K]+ 403.01769 181.9
[M+H-H2O]+ 347.05179 169.7
[M+HCOO]- 409.05273 190.9
[M+CH3COO]- 423.06838 190.3
[M+Na-2H]- 385.02920 180.5
[M]+ 364.05398 184.2
[M]- 364.05508 184.2
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

No patent data available for this compound.