CID 3061543

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

Structural Information

Molecular Formula
C17H10Cl4N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)C2(C(O2)N3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H10Cl4N2O/c18-10-1-3-12(14(20)7-10)17(13-4-2-11(19)8-15(13)21)16(24-17)23-6-5-22-9-23/h1-9,16H
InChIKey
AFLXZTIEAXISLF-UHFFFAOYSA-N
Compound name
1-[3,3-bis(2,4-dichlorophenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

397.9547 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.96198 178.3
[M+Na]+ 420.94392 190.1
[M-H]- 396.94742 184.9
[M+NH4]+ 415.98852 185.5
[M+K]+ 436.91786 184.6
[M+H-H2O]+ 380.95196 169.5
[M+HCOO]- 442.95290 179.4
[M+CH3COO]- 456.96855 187.2
[M+Na-2H]- 418.92937 178.2
[M]+ 397.95415 184.2
[M]- 397.95525 184.2
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