CID 3061580

1-(3-(2-chloro-6-fluorophenyl)-3-phenyloxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C17H12ClFN2O
SMILES
C1=CC=C(C=C1)C2(C(O2)N3C=CN=C3)C4=C(C=CC=C4Cl)F
InChI
InChI=1S/C17H12ClFN2O/c18-13-7-4-8-14(19)15(13)17(12-5-2-1-3-6-12)16(22-17)21-10-9-20-11-21/h1-11,16H
InChIKey
BUHIZXOGHWQNSH-UHFFFAOYSA-N
Compound name
1-[3-(2-chloro-6-fluorophenyl)-3-phenyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

314.06223 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.06951 174.2
[M+Na]+ 337.05145 192.0
[M+NH4]+ 332.09605 184.5
[M+K]+ 353.02539 184.4
[M-H]- 313.05495 187.6
[M+Na-2H]- 335.03690 187.9
[M]+ 314.06168 182.3
[M]- 314.06278 182.3
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