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

120
Patents

178.02977 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.037046 133.8
[M+Na]+ 201.018988 144.3
[M-H]- 177.022494 138.0
[M+NH4]+ 196.063593 153.7
[M+K]+ 216.992928 139.7
[M+H-H2O]+ 161.027030 126.3
[M+HCOO]- 223.027971 153.2
[M+CH3COO]- 237.043621 147.9
[M+Na-2H]- 199.004436 140.6
[M]+ 178.02922142 135.1
[M]- 178.03031858 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