CID 448632

4-(4-chlorophenyl)-1h-imidazole

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC(=CC=C1C2=CN=CN2)Cl
InChI
InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey
DVKIFCXVRCGAEE-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

140
Patents

178.02977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 134.6
[M+Na]+ 201.01899 149.8
[M+NH4]+ 196.06359 144.0
[M+K]+ 216.99293 143.6
[M-H]- 177.02249 137.7
[M+Na-2H]- 199.00444 144.1
[M]+ 178.02922 138.0
[M]- 178.03032 138.0
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