CID 3061570

1-(3-(2-chlorophenyl)-3-(3-trifluoromethyl)phenyloxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C18H12ClF3N2O
SMILES
C1=CC=C(C(=C1)C2(C(O2)N3C=CN=C3)C4=CC(=CC=C4)C(F)(F)F)Cl
InChI
InChI=1S/C18H12ClF3N2O/c19-15-7-2-1-6-14(15)17(16(25-17)24-9-8-23-11-24)12-4-3-5-13(10-12)18(20,21)22/h1-11,16H
InChIKey
SVKOISWUCMXDHY-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenyl)-3-[3-(trifluoromethyl)phenyl]oxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

364.05902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.06630 173.9
[M+Na]+ 387.04824 186.1
[M-H]- 363.05174 181.5
[M+NH4]+ 382.09284 182.0
[M+K]+ 403.02218 180.3
[M+H-H2O]+ 347.05628 162.5
[M+HCOO]- 409.05722 186.7
[M+CH3COO]- 423.07287 184.5
[M+Na-2H]- 385.03369 177.6
[M]+ 364.05847 176.3
[M]- 364.05957 176.3
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