CID 43600

2-amino-5-bromothiazole

Structural Information

Molecular Formula

C₃H₃BrN₂S

SMILES

C1=C(SC(=N1)N)Br

InChI

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

InChIKey

ARHCLXWELPFVFQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1730
Patents: 177.92003 Da
Monoisotopic Mass: 1.7
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]+	178.927306	118.5
[M+Na]+	200.909248	132.7
[M-H]-	176.912754	124.3
[M+NH4]+	195.953853	143.1
[M+K]+	216.883188	121.6
[M+H-H2O]+	160.917290	118.8
[M+HCOO]-	222.918231	137.5
[M+CH3COO]-	236.933881	176.1
[M+Na-2H]-	198.894696	124.5
[M]+	177.91948142	137.0
[M]-	177.92057858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe