CID 2757790

30192-81-5

Structural Information

Molecular Formula

C₉H₇ClN₂S

SMILES

C1=CC(=CC(=C1)Cl)N2C=CNC2=S

InChI

InChI=1S/C9H7ClN2S/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-6H,(H,11,13)

InChIKey

QEXPSALLWMDPFX-UHFFFAOYSA-N

Compound name

3-(3-chlorophenyl)-1H-imidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 1
Patents: 210.00185 Da
Monoisotopic Mass: 2.1
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]+	211.00913	142.0
[M+Na]+	232.99107	157.1
[M+NH4]+	228.03567	151.5
[M+K]+	248.96501	148.8
[M-H]-	208.99457	145.3
[M+Na-2H]-	230.97652	150.0
[M]+	210.00130	145.9
[M]-	210.00240	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe