CID 305689

4-chlorobenzo[c][1,2,5]thiadiazole

Structural Information

Molecular Formula

C₆H₃ClN₂S

SMILES

C1=CC2=NSN=C2C(=C1)Cl

InChI

InChI=1S/C6H3ClN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H

InChIKey

IEKBSYUNNVXOCB-UHFFFAOYSA-N

Compound name

4-chloro-2,1,3-benzothiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 169.97055 Da
Monoisotopic Mass: 2.4
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]+	170.97783	128.0
[M+Na]+	192.95977	143.8
[M+NH4]+	188.00437	138.7
[M+K]+	208.93371	135.5
[M-H]-	168.96327	130.6
[M+Na-2H]-	190.94522	136.0
[M]+	169.97000	131.9
[M]-	169.97110	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe