CID 112756466

1698853-34-7

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O₂S

SMILES

C1CS(=O)(=O)C2=C1N=C(N=C2Cl)Cl

InChI

InChI=1S/C6H4Cl2N2O2S/c7-5-4-3(9-6(8)10-5)1-2-13(4,11)12/h1-2H2

InChIKey

ALERZAHSJDWNKK-UHFFFAOYSA-N

Compound name

2,4-dichloro-6,7-dihydrothieno[3,2-d]pyrimidine 5,5-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.93706 Da
Monoisotopic Mass: 1.4
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]+	238.94434	139.3
[M+Na]+	260.92628	153.4
[M-H]-	236.92978	142.1
[M+NH4]+	255.97088	161.6
[M+K]+	276.90022	148.4
[M+H-H2O]+	220.93432	135.7
[M+HCOO]-	282.93526	147.4
[M+CH3COO]-	296.95091	153.3
[M+Na-2H]-	258.91173	143.5
[M]+	237.93651	145.1
[M]-	237.93761	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe