CID 3692364

2-(3-chlorophenyl)-4,5-dihydro-1h-imidazole

Structural Information

Molecular Formula
C9H9ClN2
SMILES
C1CN=C(N1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C9H9ClN2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-3,6H,4-5H2,(H,11,12)
InChIKey
KPCOEHAVFBZKQU-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

180.04543 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05271 136.0
[M+Na]+ 203.03465 150.3
[M+NH4]+ 198.07925 145.4
[M+K]+ 219.00859 144.3
[M-H]- 179.03815 139.0
[M+Na-2H]- 201.02010 144.6
[M]+ 180.04488 139.2
[M]- 180.04598 139.2
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

No patent data available for this compound.