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

50
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.