CID 2758229

363179-59-3

Structural Information

Molecular Formula

C₄H₂Cl₂O₂S₂

SMILES

C1=C(SC(=C1S(=O)O)Cl)Cl

InChI

InChI=1S/C4H2Cl2O2S2/c5-3-1-2(10(7)8)4(6)9-3/h1H,(H,7,8)

InChIKey

IRJLSENDYORLMB-UHFFFAOYSA-N

Compound name

2,5-dichlorothiophene-3-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 215.88733 Da
Monoisotopic Mass: 2.7
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]+	216.89461	135.1
[M+Na]+	238.87655	146.5
[M-H]-	214.88005	138.5
[M+NH4]+	233.92115	157.0
[M+K]+	254.85049	140.9
[M+H-H2O]+	198.88459	133.4
[M+HCOO]-	260.88553	139.5
[M+CH3COO]-	274.90118	177.7
[M+Na-2H]-	236.86200	134.0
[M]+	215.88678	139.7
[M]-	215.88788	139.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.