CID 3061551

1-(3,3-bis(4-chlorophenyl)oxiranyl)-1h-imidazole

Structural Information

Molecular Formula
C17H12Cl2N2O
SMILES
C1=CC(=CC=C1C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)16(22-17)21-10-9-20-11-21/h1-11,16H
InChIKey
HZLLCWRFDKUGOV-UHFFFAOYSA-N
Compound name
1-[3,3-bis(4-chlorophenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.03265 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.039926 170.3
[M+Na]+ 353.021868 182.5
[M-H]- 329.025374 180.5
[M+NH4]+ 348.066473 180.2
[M+K]+ 368.995808 177.0
[M+H-H2O]+ 313.029910 161.3
[M+HCOO]- 375.030851 182.8
[M+CH3COO]- 389.046501 181.7
[M+Na-2H]- 351.007316 174.1
[M]+ 330.03210142 176.7
[M]- 330.03319858 176.7
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