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]+ 269.02431 154.6
[M+Na]+ 291.00625 167.4
[M-H]- 267.00975 162.3
[M+NH4]+ 286.05085 167.3
[M+K]+ 306.98019 162.8
[M+H-H2O]+ 251.01429 147.2
[M+HCOO]- 313.01523 167.1
[M+CH3COO]- 327.03088 167.1
[M+Na-2H]- 288.99170 159.0
[M]+ 268.01648 161.4
[M]- 268.01758 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