CID 3061582

1-(3-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)oxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C17H11Cl2FN2O
SMILES
C1=CC(=C(C(=C1)Cl)C2(C(O2)N3C=CN=C3)C4=CC=C(C=C4)Cl)F
InChI
InChI=1S/C17H11Cl2FN2O/c18-12-6-4-11(5-7-12)17(15-13(19)2-1-3-14(15)20)16(23-17)22-9-8-21-10-22/h1-10,16H
InChIKey
CRSWJWZUXITALX-UHFFFAOYSA-N
Compound name
1-[3-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

348.02325 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.03053 171.1
[M+Na]+ 371.01247 184.0
[M-H]- 347.01597 180.2
[M+NH4]+ 366.05707 180.4
[M+K]+ 386.98641 178.0
[M+H-H2O]+ 331.02051 161.3
[M+HCOO]- 393.02145 182.5
[M+CH3COO]- 407.03710 182.3
[M+Na-2H]- 368.99792 173.8
[M]+ 348.02270 177.0
[M]- 348.02380 177.0
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