CID 305495

5,6-dichlorobenzo[c][1,2,5]thiadiazole

Structural Information

Molecular Formula

C₆H₂Cl₂N₂S

SMILES

C1=C(C(=CC2=NSN=C21)Cl)Cl

InChI

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

InChIKey

FANYVGCAISPJSX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 38
Patents: 203.93158 Da
Monoisotopic Mass: 3.0
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]+	204.93886	135.8
[M+Na]+	226.92080	152.3
[M+NH4]+	221.96540	146.4
[M+K]+	242.89474	143.5
[M-H]-	202.92430	138.2
[M+Na-2H]-	224.90625	143.3
[M]+	203.93103	140.1
[M]-	203.93213	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe