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: 12
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]+	210.938186	131.8
[M+Na]+	232.920128	142.7
[M-H]-	208.923634	134.9
[M+NH4]+	227.964733	152.2
[M+K]+	248.894068	137.5
[M+H-H2O]+	192.928170	129.4
[M+HCOO]-	254.929111	140.7
[M+CH3COO]-	268.944761	178.6
[M+Na-2H]-	230.905576	134.5
[M]+	209.93036142	136.1
[M]-	209.93145858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe