CID 3022081

Brn 5527139

Structural Information

Molecular Formula

C₁₀H₉ClN₂S

SMILES

C1=CC(=CC=C1CC2=CNC(=S)N2)Cl

InChI

InChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)5-9-6-12-10(14)13-9/h1-4,6H,5H2,(H2,12,13,14)

InChIKey

UTRATPYFFGDPIL-UHFFFAOYSA-N

Compound name

4-[(4-chlorophenyl)methyl]-1,3-dihydroimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.0175 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]+	225.02478	145.0
[M+Na]+	247.00672	156.0
[M-H]-	223.01022	147.3
[M+NH4]+	242.05132	162.9
[M+K]+	262.98066	148.2
[M+H-H2O]+	207.01476	139.1
[M+HCOO]-	269.01570	156.4
[M+CH3COO]-	283.03135	157.3
[M+Na-2H]-	244.99217	146.3
[M]+	224.01695	145.1
[M]-	224.01805	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe