CID 99349

1-(3-chlorophenyl)imidazole

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

2
References

100
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 134.1
[M+Na]+ 201.01899 149.8
[M+NH4]+ 196.06359 143.8
[M+K]+ 216.99293 143.3
[M-H]- 177.02249 137.7
[M+Na-2H]- 199.00444 144.2
[M]+ 178.02922 137.7
[M]- 178.03032 137.7
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