CID 620683

2-amino-4-(4-bromophenyl)thiazole

Structural Information

Molecular Formula

C₉H₇BrN₂S

SMILES

C1=CC(=CC=C1C2=CSC(=N2)N)Br

InChI

InChI=1S/C9H7BrN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)

InChIKey

ZBRNKOLWXWMLTA-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 213
Patents: 253.95132 Da
Monoisotopic Mass: 3.3
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]+	254.95860	138.6
[M+Na]+	276.94054	142.4
[M+NH4]+	271.98514	144.7
[M+K]+	292.91448	141.9
[M-H]-	252.94404	141.5
[M+Na-2H]-	274.92599	143.9
[M]+	253.95077	139.2
[M]-	253.95187	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe