CID 3034610

Imidazole-2-thiol, 1-(m-bromophenyl)-

Structural Information

Molecular Formula

C₉H₇BrN₂S

SMILES

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

InChI

InChI=1S/C9H7BrN2S/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-6H,(H,11,13)

InChIKey

MVNASPZLDQMKDG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 253.95132 Da
Monoisotopic Mass: 2.2
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]+	254.95860	138.9
[M+Na]+	276.94054	143.5
[M+NH4]+	271.98514	144.3
[M+K]+	292.91448	142.7
[M-H]-	252.94404	140.4
[M+Na-2H]-	274.92599	143.8
[M]+	253.95077	139.2
[M]-	253.95187	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe