CID 2795347

499771-00-5

Structural Information

Molecular Formula

C₈H₅ClN₂O₂S₂

SMILES

C1=CC(=CC=C1C2=CSN=N2)S(=O)(=O)Cl

InChI

InChI=1S/C8H5ClN2O2S2/c9-15(12,13)7-3-1-6(2-4-7)8-5-14-11-10-8/h1-5H

InChIKey

IFHXVVWZBVKDQR-UHFFFAOYSA-N

Compound name

4-(thiadiazol-4-yl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 259.9481 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]+	260.95538	153.5
[M+Na]+	282.93732	166.8
[M+NH4]+	277.98192	161.9
[M+K]+	298.91126	158.4
[M-H]-	258.94082	155.6
[M+Na-2H]-	280.92277	160.2
[M]+	259.94755	157.2
[M]-	259.94865	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe