CID 3061561

1-(3-(2-chlorophenyl)-3-(2,4-dichlorophenyl)oxiranyl)-1h-imidazole

Structural Information

Molecular Formula
C17H11Cl3N2O
SMILES
C1=CC=C(C(=C1)C2(C(O2)N3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C17H11Cl3N2O/c18-11-5-6-13(15(20)9-11)17(12-3-1-2-4-14(12)19)16(23-17)22-8-7-21-10-22/h1-10,16H
InChIKey
DKAMUEZHFJOZJZ-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-3-(2,4-dichlorophenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

363.99368 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.00096 179.0
[M+Na]+ 386.98290 198.7
[M+NH4]+ 382.02750 189.9
[M+K]+ 402.95684 189.9
[M-H]- 362.98640 192.7
[M+Na-2H]- 384.96835 192.7
[M]+ 363.99313 188.1
[M]- 363.99423 188.1
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