CID 23685

2-((m-chlorobenzyl)thio)-2-imidazoline monohydrobromide

Structural Information

Molecular Formula
C10H11ClN2S
SMILES
C1CN=C(N1)SCC2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H11ClN2S/c11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h1-3,6H,4-5,7H2,(H,12,13)
InChIKey
UCAFMRHQNWJBKU-UHFFFAOYSA-N
Compound name
2-[(3-chlorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

226.03314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04042 146.6
[M+Na]+ 249.02236 155.9
[M-H]- 225.02586 149.5
[M+NH4]+ 244.06696 164.8
[M+K]+ 264.99630 150.0
[M+H-H2O]+ 209.03040 139.9
[M+HCOO]- 271.03134 158.0
[M+CH3COO]- 285.04699 158.7
[M+Na-2H]- 247.00781 148.1
[M]+ 226.03259 147.3
[M]- 226.03369 147.3
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