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]+ 331.03993 174.1
[M+Na]+ 353.02187 193.8
[M+NH4]+ 348.06647 185.4
[M+K]+ 368.99581 185.2
[M-H]- 329.02537 188.8
[M+Na-2H]- 351.00732 188.7
[M]+ 330.03210 183.3
[M]- 330.03320 183.3
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