CID 6481671

1-(4-chlorophenyl)-2-(1h-imidazol-2-yl)ethanone

Structural Information

Molecular Formula
C11H9ClN2O
SMILES
C1=CC(=CC=C1C(=O)CC2=NC=CN2)Cl
InChI
InChI=1S/C11H9ClN2O/c12-9-3-1-8(2-4-9)10(15)7-11-13-5-6-14-11/h1-6H,7H2,(H,13,14)
InChIKey
ILFVTZGWWIEXSJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(1H-imidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

220.04034 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.04762 145.7
[M+Na]+ 243.02956 154.8
[M-H]- 219.03306 148.5
[M+NH4]+ 238.07416 163.1
[M+K]+ 259.00350 149.2
[M+H-H2O]+ 203.03760 138.2
[M+HCOO]- 265.03854 162.5
[M+CH3COO]- 279.05419 158.1
[M+Na-2H]- 241.01501 149.9
[M]+ 220.03979 146.1
[M]- 220.04089 146.1
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