CID 26597105

942473-89-4

Structural Information

Molecular Formula

C₇H₄BrFN₂S

SMILES

C1=CC(=C2C(=C1F)SC(=N2)N)Br

InChI

InChI=1S/C7H4BrFN2S/c8-3-1-2-4(9)6-5(3)11-7(10)12-6/h1-2H,(H2,10,11)

InChIKey

IZJDJKFFDWPQON-UHFFFAOYSA-N

Compound name

4-bromo-7-fluoro-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 245.92625 Da
Monoisotopic Mass: 2.8
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]+	246.93353	132.9
[M+Na]+	268.91547	149.3
[M-H]-	244.91897	138.9
[M+NH4]+	263.96007	156.5
[M+K]+	284.88941	136.5
[M+H-H2O]+	228.92351	132.9
[M+HCOO]-	290.92445	151.1
[M+CH3COO]-	304.94010	149.5
[M+Na-2H]-	266.90092	139.1
[M]+	245.92570	153.1
[M]-	245.92680	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe