CID 85149

2-amino-6-bromobenzothiazole

Structural Information

Molecular Formula

C₇H₅BrN₂S

SMILES

C1=CC2=C(C=C1Br)SC(=N2)N

InChI

InChI=1S/C7H5BrN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)

InChIKey

VZEBSJIOUMDNLY-UHFFFAOYSA-N

Compound name

6-bromo-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 922
Patents: 227.93568 Da
Monoisotopic Mass: 2.9
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]+	228.94296	129.9
[M+Na]+	250.92490	134.0
[M+NH4]+	245.96950	136.4
[M+K]+	266.89884	133.7
[M-H]-	226.92840	131.6
[M+Na-2H]-	248.91035	134.2
[M]+	227.93513	130.2
[M]-	227.93623	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe