CID 66980933

6-bromo-1,2,3-benzothiadiazole

Structural Information

Molecular Formula

C₆H₃BrN₂S

SMILES

C1=CC2=C(C=C1Br)SN=N2

InChI

InChI=1S/C6H3BrN2S/c7-4-1-2-5-6(3-4)10-9-8-5/h1-3H

InChIKey

HRDFWZRRQDWWAB-UHFFFAOYSA-N

Compound name

6-bromo-1,2,3-benzothiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 213.92003 Da
Monoisotopic Mass: 2.6
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]+	214.92731	125.8
[M+Na]+	236.90925	131.0
[M+NH4]+	231.95385	132.3
[M+K]+	252.88319	130.3
[M-H]-	212.91275	126.7
[M+Na-2H]-	234.89470	130.7
[M]+	213.91948	126.1
[M]-	213.92058	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe