CID 105523651

1784619-01-7

Structural Information

Molecular Formula

C₆HBrCl₂N₂S

SMILES

C1=C(SC2=C1C(=NC(=N2)Cl)Cl)Br

InChI

InChI=1S/C6HBrCl2N2S/c7-3-1-2-4(8)10-6(9)11-5(2)12-3/h1H

InChIKey

SZLGVKPPRDUDTI-UHFFFAOYSA-N

Compound name

6-bromo-2,4-dichlorothieno[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 281.8421 Da
Monoisotopic Mass: 4.5
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]+	282.84938	133.8
[M+Na]+	304.83132	152.9
[M-H]-	280.83482	140.0
[M+NH4]+	299.87592	156.9
[M+K]+	320.80526	139.0
[M+H-H2O]+	264.83936	136.2
[M+HCOO]-	326.84030	142.7
[M+CH3COO]-	340.85595	150.7
[M+Na-2H]-	302.81677	140.7
[M]+	281.84155	158.9
[M]-	281.84265	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe