CID 428024

2-amino-4-bromothiazole

Structural Information

Molecular Formula

C₃H₃BrN₂S

SMILES

C1=C(N=C(S1)N)Br

InChI

InChI=1S/C3H3BrN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)

InChIKey

QJPQUNWGOHADOB-UHFFFAOYSA-N

Compound name

4-bromo-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 202
Patents: 177.92003 Da
Monoisotopic Mass: 1.6
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]+	178.92731	120.8
[M+Na]+	200.90925	122.8
[M+NH4]+	195.95385	126.6
[M+K]+	216.88319	123.6
[M-H]-	176.91275	121.4
[M+Na-2H]-	198.89470	123.9
[M]+	177.91948	120.3
[M]-	177.92058	120.3

Literature stripe

literature stripe

Patent stripe

patents stripe