CID 2769273

320421-81-6

Structural Information

Molecular Formula

C₆H₃ClN₂O₂S₃

SMILES

C1=C(SC(=C1)S(=O)(=O)Cl)C2=CSN=N2

InChI

InChI=1S/C6H3ClN2O2S3/c7-14(10,11)6-2-1-5(13-6)4-3-12-9-8-4/h1-3H

InChIKey

YLMRFUGVQGEIMF-UHFFFAOYSA-N

Compound name

5-(thiadiazol-4-yl)thiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 265.9045 Da
Monoisotopic Mass: 2.2
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]+	266.91178	155.6
[M+Na]+	288.89372	170.2
[M-H]-	264.89722	161.7
[M+NH4]+	283.93832	175.1
[M+K]+	304.86766	164.1
[M+H-H2O]+	248.90176	151.7
[M+HCOO]-	310.90270	161.8
[M+CH3COO]-	324.91835	168.8
[M+Na-2H]-	286.87917	155.4
[M]+	265.90395	161.5
[M]-	265.90505	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe