CID 17244948

681126-45-4

Structural Information

Molecular Formula

C₈H₇BrN₂S

SMILES

CC1=CC(=CC2=C1N=C(S2)N)Br

InChI

InChI=1S/C8H7BrN2S/c1-4-2-5(9)3-6-7(4)11-8(10)12-6/h2-3H,1H3,(H2,10,11)

InChIKey

CQNDRYGENLEDAA-UHFFFAOYSA-N

Compound name

6-bromo-4-methyl-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 44
Patents: 241.95132 Da
Monoisotopic Mass: 3.1
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]+	242.95860	134.5
[M+Na]+	264.94054	138.7
[M+NH4]+	259.98514	140.8
[M+K]+	280.91448	138.3
[M-H]-	240.94404	136.2
[M+Na-2H]-	262.92599	138.3
[M]+	241.95077	134.9
[M]-	241.95187	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe