CID 16227984

2,4-dichloropyrimidine-5-sulfonyl chloride

Structural Information

Molecular Formula

C₄HCl₃N₂O₂S

SMILES

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

InChI

InChI=1S/C4HCl3N2O2S/c5-3-2(12(7,10)11)1-8-4(6)9-3/h1H

InChIKey

ZPTJJFUQGKXOKC-UHFFFAOYSA-N

Compound name

2,4-dichloropyrimidine-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 245.88243 Da
Monoisotopic Mass: 2.1
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]+	246.889706	138.3
[M+Na]+	268.871648	150.6
[M-H]-	244.875154	139.2
[M+NH4]+	263.916253	155.1
[M+K]+	284.845588	145.6
[M+H-H2O]+	228.879690	134.4
[M+HCOO]-	290.880631	140.6
[M+CH3COO]-	304.896281	184.8
[M+Na-2H]-	266.857096	142.6
[M]+	245.88188142	143.0
[M]-	245.88297858	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe