CID 234620

28485-18-9

Structural Information

Molecular Formula

C₄H₃ClN₂O₄S

SMILES

C1=C(C(=O)NC(=O)N1)S(=O)(=O)Cl

InChI

InChI=1S/C4H3ClN2O4S/c5-12(10,11)2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

InChIKey

FQHNJCWWBKYCJW-UHFFFAOYSA-N

Compound name

2,4-dioxo-1H-pyrimidine-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 209.95021 Da
Monoisotopic Mass: -0.7
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]+	210.95749	138.4
[M+Na]+	232.93943	150.5
[M+NH4]+	227.98403	143.9
[M+K]+	248.91337	145.0
[M-H]-	208.94293	135.8
[M+Na-2H]-	230.92488	142.3
[M]+	209.94966	139.8
[M]-	209.95076	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe