CID 168129

5,6-dichloro-1,2,3-benzothiadiazole

Structural Information

Molecular Formula

C₆H₂Cl₂N₂S

SMILES

C1=C2C(=CC(=C1Cl)Cl)SN=N2

InChI

InChI=1S/C6H2Cl2N2S/c7-3-1-5-6(2-4(3)8)11-10-9-5/h1-2H

InChIKey

UEGRPBWFVBWAGM-UHFFFAOYSA-N

Compound name

5,6-dichloro-1,2,3-benzothiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 203.93158 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]+	204.938856	133.1
[M+Na]+	226.920798	147.5
[M-H]-	202.924304	135.9
[M+NH4]+	221.965403	154.9
[M+K]+	242.894738	142.1
[M+H-H2O]+	186.928840	128.5
[M+HCOO]-	248.929781	143.1
[M+CH3COO]-	262.945431	147.7
[M+Na-2H]-	224.906246	138.1
[M]+	203.93103142	139.5
[M]-	203.93212858	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe