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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.04042	147.4
[M+Na]+	249.02236	160.9
[M+NH4]+	244.06696	156.9
[M+K]+	264.99630	152.6
[M-H]-	225.02586	150.6
[M+Na-2H]-	247.00781	154.7
[M]+	226.03259	151.0
[M]-	226.03369	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe