CID 15451755

Sodium 2,4-dichlorobenzene-1-sulfinate

Structural Information

Molecular Formula

C₆H₄Cl₂O₂S

SMILES

C1=CC(=C(C=C1Cl)Cl)S(=O)O

InChI

InChI=1S/C6H4Cl2O2S/c7-4-1-2-6(11(9)10)5(8)3-4/h1-3H,(H,9,10)

InChIKey

OKUBMVUZAZAYAI-UHFFFAOYSA-N

Compound name

2,4-dichlorobenzenesulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 209.93091 Da
Monoisotopic Mass: 2.4
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]+	210.93819	137.1
[M+Na]+	232.92013	151.2
[M+NH4]+	227.96473	146.4
[M+K]+	248.89407	142.7
[M-H]-	208.92363	138.7
[M+Na-2H]-	230.90558	143.2
[M]+	209.93036	140.6
[M]-	209.93146	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe