CID 12712832

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

Structural Information

Molecular Formula

C₆H₂Cl₂N₂S

SMILES

C1=CSC2=C1N=C(N=C2Cl)Cl

InChI

InChI=1S/C6H2Cl2N2S/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H

InChIKey

AQECFYPZMBRCIA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 940
Patents: 203.93158 Da
Monoisotopic Mass: 3.2
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]+	204.93886	135.8
[M+Na]+	226.92080	152.3
[M+NH4]+	221.96540	146.4
[M+K]+	242.89474	143.5
[M-H]-	202.92430	138.2
[M+Na-2H]-	224.90625	143.3
[M]+	203.93103	140.1
[M]-	203.93213	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe