CID 3068294

2-(2,4-dichlorophenyl)-3-(m-fluorophenoxy)-1-(imidazol-1-yl)-2-propanol oxalate

Structural Information

Molecular Formula
C18H15Cl2FN2O2
SMILES
C1=CC(=CC(=C1)F)OCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H15Cl2FN2O2/c19-13-4-5-16(17(20)8-13)18(24,10-23-7-6-22-12-23)11-25-15-3-1-2-14(21)9-15/h1-9,12,24H,10-11H2
InChIKey
OHNJFUHVPMQLAV-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-(3-fluorophenoxy)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.04947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.05675 184.3
[M+Na]+ 403.03869 193.9
[M-H]- 379.04219 188.4
[M+NH4]+ 398.08329 195.7
[M+K]+ 419.01263 186.0
[M+H-H2O]+ 363.04673 174.4
[M+HCOO]- 425.04767 193.0
[M+CH3COO]- 439.06332 210.8
[M+Na-2H]- 401.02414 186.2
[M]+ 380.04892 187.9
[M]- 380.05002 187.9
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.