CID 142858

1-(2-chlorophenyl)imidazole

Structural Information

Molecular Formula
C9H7ClN2
SMILES
C1=CC=C(C(=C1)N2C=CN=C2)Cl
InChI
InChI=1S/C9H7ClN2/c10-8-3-1-2-4-9(8)12-6-5-11-7-12/h1-7H
InChIKey
ZGGZGKAVJNFVHE-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
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

No literature data available for this compound.

Patent stripe

patents stripe