CID 19378717

163137-45-9

Structural Information

Molecular Formula

C₅H₄Cl₂N₂O₂S

SMILES

C1=C(C=NC(=C1S(=O)(=O)Cl)N)Cl

InChI

InChI=1S/C5H4Cl2N2O2S/c6-3-1-4(12(7,10)11)5(8)9-2-3/h1-2H,(H2,8,9)

InChIKey

DMEATHTWRKQAJZ-UHFFFAOYSA-N

Compound name

2-amino-5-chloropyridine-3-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.93706 Da
Monoisotopic Mass: 1.7
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]+	226.94434	138.7
[M+Na]+	248.92628	150.3
[M-H]-	224.92978	141.3
[M+NH4]+	243.97088	157.2
[M+K]+	264.90022	144.9
[M+H-H2O]+	208.93432	134.9
[M+HCOO]-	270.93526	147.8
[M+CH3COO]-	284.95091	183.5
[M+Na-2H]-	246.91173	143.0
[M]+	225.93651	142.2
[M]-	225.93761	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe