CID 89487453

1429639-72-4

Structural Information

Molecular Formula

C₆H₄Cl₂N₂O₂S

SMILES

C1C2=C(CS1(=O)=O)N=C(N=C2Cl)Cl

InChI

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

InChIKey

ANVHDCBUVMKZJW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 237.93706 Da
Monoisotopic Mass: 0.9
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	143.1
[M+Na]+	260.92628	157.3
[M+NH4]+	255.97088	153.3
[M+K]+	276.90022	148.4
[M-H]-	236.92978	143.6
[M+Na-2H]-	258.91173	149.2
[M]+	237.93651	146.4
[M]-	237.93761	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe