CID 142859

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

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC(=CC=C1N2C=CN=C2)Cl
InChI
InChI=1S/C9H7ClN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChIKey
BARLRKAYTDVUIS-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

127
Patents

178.02977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.03705 133.8
[M+Na]+ 201.01899 144.3
[M-H]- 177.02249 138.0
[M+NH4]+ 196.06359 153.7
[M+K]+ 216.99293 139.7
[M+H-H2O]+ 161.02703 126.3
[M+HCOO]- 223.02797 153.2
[M+CH3COO]- 237.04362 147.9
[M+Na-2H]- 199.00444 140.6
[M]+ 178.02922 135.1
[M]- 178.03032 135.1
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