CID 2776289

337508-60-8

Structural Information

Molecular Formula

C₆H₃ClN₂O₂S₂

SMILES

C1=CC2=NSN=C2C=C1S(=O)(=O)Cl

InChI

InChI=1S/C6H3ClN2O2S2/c7-13(10,11)4-1-2-5-6(3-4)9-12-8-5/h1-3H

InChIKey

PFLLNLOVUWBRRX-UHFFFAOYSA-N

Compound name

2,1,3-benzothiadiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 233.93245 Da
Monoisotopic Mass: 1.8
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]+	234.939726	143.2
[M+Na]+	256.921668	157.3
[M-H]-	232.925174	146.7
[M+NH4]+	251.966273	163.4
[M+K]+	272.895608	152.1
[M+H-H2O]+	216.929710	139.0
[M+HCOO]-	278.930651	152.4
[M+CH3COO]-	292.946301	157.2
[M+Na-2H]-	254.907116	148.3
[M]+	233.93190142	150.3
[M]-	233.93299858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe