CID 10955994

4-(4-chlorophenyl)-1-(1h-imidazol-1-yl)butan-2-ol

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
C1=CC(=CC=C1CCC(CN2C=CN=C2)O)Cl
InChI
InChI=1S/C13H15ClN2O/c14-12-4-1-11(2-5-12)3-6-13(17)9-16-8-7-15-10-16/h1-2,4-5,7-8,10,13,17H,3,6,9H2
InChIKey
YAHZVMVZBIMHGM-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
Patents

250.0873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 155.7
[M+Na]+ 273.07652 163.5
[M-H]- 249.08002 158.0
[M+NH4]+ 268.12112 171.9
[M+K]+ 289.05046 158.1
[M+H-H2O]+ 233.08456 147.6
[M+HCOO]- 295.08550 171.5
[M+CH3COO]- 309.10115 189.4
[M+Na-2H]- 271.06197 158.7
[M]+ 250.08675 157.4
[M]- 250.08785 157.4
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