CID 14896996

133546-47-1

Structural Information

Molecular Formula

C₁₀H₄N₄S₂

SMILES

C1=CC2=NSN=C2C3=C1C4=NSN=C4C=C3

InChI

InChI=1S/C10H4N4S2/c1-3-7-10(14-15-11-7)6-2-4-8-9(5(1)6)13-16-12-8/h1-4H

InChIKey

VHHDKHOBNKXVNU-UHFFFAOYSA-N

Compound name

[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 243.98773 Da
Monoisotopic Mass: 2.9
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]+	244.99501	145.0
[M+Na]+	266.97695	161.5
[M+NH4]+	262.02155	155.7
[M+K]+	282.95089	153.1
[M-H]-	242.98045	147.9
[M+Na-2H]-	264.96240	151.7
[M]+	243.98718	149.4
[M]-	243.98828	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe