CID 43244366

98026-88-1

Structural Information

Molecular Formula

C₄H₂Cl₂N₂O₂S

SMILES

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

InChI

InChI=1S/C4H2Cl2N2O2S/c5-4-7-1-3(2-8-4)11(6,9)10/h1-2H

InChIKey

DMAOAJYJIATWJS-UHFFFAOYSA-N

Compound name

2-chloropyrimidine-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 211.9214 Da
Monoisotopic Mass: 1.2
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]+	212.92868	133.0
[M+Na]+	234.91062	145.1
[M-H]-	210.91412	134.7
[M+NH4]+	229.95522	151.1
[M+K]+	250.88456	140.5
[M+H-H2O]+	194.91866	128.4
[M+HCOO]-	256.91960	140.8
[M+CH3COO]-	270.93525	178.1
[M+Na-2H]-	232.89607	139.0
[M]+	211.92085	137.8
[M]-	211.92195	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe