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

1
Patents

180.04543 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.052706 136.2
[M+Na]+ 203.034648 145.1
[M-H]- 179.038154 138.6
[M+NH4]+ 198.079253 155.2
[M+K]+ 219.008588 139.9
[M+H-H2O]+ 163.042690 128.9
[M+HCOO]- 225.043631 152.6
[M+CH3COO]- 239.059281 148.9
[M+Na-2H]- 201.020096 141.5
[M]+ 180.04488142 134.2
[M]- 180.04597858 134.2
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

patents stripe