CID 11184113

5-bromo-n-methyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula

C₈H₇BrN₂S

SMILES

CNC1=NC2=C(S1)C=CC(=C2)Br

InChI

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

InChIKey

RHEIKUIELFJNSE-UHFFFAOYSA-N

Compound name

5-bromo-N-methyl-1,3-benzothiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 241.95132 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]+	242.95860	134.2
[M+Na]+	264.94054	138.4
[M+NH4]+	259.98514	140.6
[M+K]+	280.91448	137.6
[M-H]-	240.94404	136.0
[M+Na-2H]-	262.92599	138.6
[M]+	241.95077	134.6
[M]-	241.95187	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe