CID 58470215

6-bromo-5-chloro-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula

C₇H₄BrClN₂S

SMILES

C1=C2C(=CC(=C1Cl)Br)SC(=N2)N

InChI

InChI=1S/C7H4BrClN2S/c8-3-1-6-5(2-4(3)9)11-7(10)12-6/h1-2H,(H2,10,11)

InChIKey

FWZGVHVWLYGZDF-UHFFFAOYSA-N

Compound name

6-bromo-5-chloro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 261.8967 Da
Monoisotopic Mass: 3.4
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]+	262.90398	137.1
[M+Na]+	284.88592	142.2
[M+NH4]+	279.93052	143.7
[M+K]+	300.85986	141.1
[M-H]-	260.88942	138.8
[M+Na-2H]-	282.87137	141.1
[M]+	261.89615	137.8
[M]-	261.89725	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe