CID 3007597

107659-20-1

Structural Information

Molecular Formula
C18H13Cl2FN2O2
SMILES
C1=CC(=CC=C1C(=O)C(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O)F
InChI
InChI=1S/C18H13Cl2FN2O2/c19-13-3-6-15(16(20)9-13)18(25,10-23-8-7-22-11-23)17(24)12-1-4-14(21)5-2-12/h1-9,11,25H,10H2
InChIKey
WXEOVZHKJXFPPI-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-2-hydroxy-3-imidazol-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.0338 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04108 182.8
[M+Na]+ 401.02302 192.3
[M-H]- 377.02652 187.1
[M+NH4]+ 396.06762 194.1
[M+K]+ 416.99696 184.4
[M+H-H2O]+ 361.03106 173.3
[M+HCOO]- 423.03200 190.8
[M+CH3COO]- 437.04765 210.9
[M+Na-2H]- 399.00847 183.7
[M]+ 378.03325 185.3
[M]- 378.03435 185.3
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.