CID 20080160

2229285-78-1

Structural Information

Molecular Formula

C₄H₂Cl₂N₂O₂S

SMILES

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

InChI

InChI=1S/C4H2Cl2N2O2S/c5-3-2(11(9)10)1-7-4(6)8-3/h1H,(H,9,10)

InChIKey

HBAZCDWOLIZOOR-UHFFFAOYSA-N

Compound name

2,4-dichloropyrimidine-5-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.9214 Da
Monoisotopic Mass: 1.3
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	130.2
[M+Na]+	234.91062	141.7
[M-H]-	210.91412	130.5
[M+NH4]+	229.95522	147.7
[M+K]+	250.88456	137.0
[M+H-H2O]+	194.91866	126.0
[M+HCOO]-	256.91960	137.0
[M+CH3COO]-	270.93525	178.0
[M+Na-2H]-	232.89607	133.7
[M]+	211.92085	134.2
[M]-	211.92195	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.