CID 3061554

1-(3-(2-chlorophenyl)-3-(4-fluorophenyl)oxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C17H12ClFN2O
SMILES
C1=CC=C(C(=C1)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)F)Cl
InChI
InChI=1S/C17H12ClFN2O/c18-15-4-2-1-3-14(15)17(12-5-7-13(19)8-6-12)16(22-17)21-10-9-20-11-21/h1-11,16H
InChIKey
CUAAGWFFHSCPSB-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-3-(4-fluorophenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

314.06223 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06951 167.0
[M+Na]+ 337.05145 179.3
[M-H]- 313.05495 177.1
[M+NH4]+ 332.09605 177.1
[M+K]+ 353.02539 174.1
[M+H-H2O]+ 297.05949 157.1
[M+HCOO]- 359.06043 183.7
[M+CH3COO]- 373.07608 178.9
[M+Na-2H]- 335.03690 171.2
[M]+ 314.06168 171.5
[M]- 314.06278 171.5
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

patents stripe