CID 2735717

23621-88-7

Structural Information

Molecular Formula

C₆H₃ClN₂S

SMILES

C1=CC2=C(C(=C1)Cl)SN=N2

InChI

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

InChIKey

JKRBCVUYXGAUJJ-UHFFFAOYSA-N

Compound name

7-chloro-1,2,3-benzothiadiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 169.97055 Da
Monoisotopic Mass: 2.5
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	126.6
[M+Na]+	192.95977	140.3
[M-H]-	168.96327	129.9
[M+NH4]+	188.00437	149.4
[M+K]+	208.93371	135.9
[M+H-H2O]+	152.96781	121.4
[M+HCOO]-	214.96875	142.1
[M+CH3COO]-	228.98440	141.9
[M+Na-2H]-	190.94522	133.3
[M]+	169.97000	132.1
[M]-	169.97110	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe