CID 32238

(+-)-alpha-(2,4-dichlorophenyl)-1h-imidazole-1-ethanol

Structural Information

Molecular Formula
C11H10Cl2N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O
InChI
InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChIKey
UKVLTPAGJIYSGN-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

249
Patents

256.01703 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.02431 152.2
[M+Na]+ 279.00625 162.0
[M-H]- 255.00975 154.4
[M+NH4]+ 274.05085 168.8
[M+K]+ 294.98019 155.9
[M+H-H2O]+ 239.01429 145.1
[M+HCOO]- 301.01523 163.4
[M+CH3COO]- 315.03088 163.9
[M+Na-2H]- 276.99170 154.8
[M]+ 256.01648 154.6
[M]- 256.01758 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe