CID 350261

69812-30-2

Structural Information

Molecular Formula

C₅H₅ClN₂O₃S₂

SMILES

CC(=O)NC1=NC=C(S1)S(=O)(=O)Cl

InChI

InChI=1S/C5H5ClN2O3S2/c1-3(9)8-5-7-2-4(12-5)13(6,10)11/h2H,1H3,(H,7,8,9)

InChIKey

LYOHVKFYBJLEEP-UHFFFAOYSA-N

Compound name

2-acetamido-1,3-thiazole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 253
Patents: 239.94301 Da
Monoisotopic Mass: 0.8
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]+	240.95029	150.7
[M+Na]+	262.93223	159.4
[M+NH4]+	257.97683	157.5
[M+K]+	278.90617	153.6
[M-H]-	238.93573	149.9
[M+Na-2H]-	260.91768	153.1
[M]+	239.94246	152.6
[M]-	239.94356	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe