CID 3061545

1-(3-(2,4-dichlorophenyl)-3-methyloxiranyl)-1h-imidazole mononitrate

Structural Information

Molecular Formula
C12H10Cl2N2O
SMILES
CC1(C(O1)N2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C12H10Cl2N2O/c1-12(9-3-2-8(13)6-10(9)14)11(17-12)16-5-4-15-7-16/h2-7,11H,1H3
InChIKey
UQEXNLPFKRPZIZ-UHFFFAOYSA-N
Compound name
1-[3-(2,4-dichlorophenyl)-3-methyloxiran-2-yl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

268.01703 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.024306 154.6
[M+Na]+ 291.006248 167.4
[M-H]- 267.009754 162.3
[M+NH4]+ 286.050853 167.3
[M+K]+ 306.980188 162.8
[M+H-H2O]+ 251.014290 147.2
[M+HCOO]- 313.015231 167.1
[M+CH3COO]- 327.030881 167.1
[M+Na-2H]- 288.991696 159.0
[M]+ 268.01648142 161.4
[M]- 268.01757858 161.4
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