CID 91130

24155-45-1

Structural Information

Molecular Formula
C11H11ClN2O
SMILES
C1=CC(=CC=C1C(CN2C=CN=C2)O)Cl
InChI
InChI=1S/C11H11ClN2O/c12-10-3-1-9(2-4-10)11(15)7-14-6-5-13-8-14/h1-6,8,11,15H,7H2
InChIKey
HMMMTSXSWRPUOJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-imidazol-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

222.05598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06326 146.8
[M+Na]+ 245.04520 160.7
[M+NH4]+ 240.08980 155.2
[M+K]+ 261.01914 155.4
[M-H]- 221.04870 149.2
[M+Na-2H]- 243.03065 154.9
[M]+ 222.05543 149.7
[M]- 222.05653 149.7
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