CID 66554157

1293389-28-2

Structural Information

Molecular Formula

C₆H₂F₂N₂S

SMILES

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

InChI

InChI=1S/C6H2F2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H

InChIKey

ZKBRJEYUJNJNCO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 171.99068 Da
Monoisotopic Mass: 2.0
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]+	172.99796	124.0
[M+Na]+	194.97990	138.0
[M-H]-	170.98340	125.1
[M+NH4]+	190.02450	146.1
[M+K]+	210.95384	134.2
[M+H-H2O]+	154.98794	116.7
[M+HCOO]-	216.98888	142.1
[M+CH3COO]-	231.00453	139.1
[M+Na-2H]-	192.96535	129.5
[M]+	171.99013	126.2
[M]-	171.99123	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe