CID 4299711

383131-03-1

Structural Information

Molecular Formula

C₈H₇BrN₂OS

SMILES

COC1=C2C(=CC(=C1)Br)SC(=N2)N

InChI

InChI=1S/C8H7BrN2OS/c1-12-5-2-4(9)3-6-7(5)11-8(10)13-6/h2-3H,1H3,(H2,10,11)

InChIKey

WRDXLSFNQNUSMN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 257.94626 Da
Monoisotopic Mass: 2.7
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]+	258.953536	137.2
[M+Na]+	280.935478	153.0
[M-H]-	256.938984	144.4
[M+NH4]+	275.980083	160.4
[M+K]+	296.909418	140.9
[M+H-H2O]+	240.943520	137.8
[M+HCOO]-	302.944461	156.3
[M+CH3COO]-	316.960111	153.9
[M+Na-2H]-	278.920926	143.7
[M]+	257.94571142	160.1
[M]-	257.94680858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe