CID 72207289

74901-71-6

Structural Information

Molecular Formula

C₆H₄Cl₂N₂S

SMILES

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

InChI

InChI=1S/C6H4Cl2N2S/c7-5-3-1-11-2-4(3)9-6(8)10-5/h1-2H2

InChIKey

YSADLUWHNVZEJK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 205.94722 Da
Monoisotopic Mass: 2.2
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]+	206.95450	136.1
[M+Na]+	228.93644	148.4
[M-H]-	204.93994	138.2
[M+NH4]+	223.98104	157.6
[M+K]+	244.91038	143.5
[M+H-H2O]+	188.94448	131.4
[M+HCOO]-	250.94542	143.4
[M+CH3COO]-	264.96107	149.6
[M+Na-2H]-	226.92189	139.2
[M]+	205.94667	139.7
[M]-	205.94777	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe