CID 66521188

Schembl20798062

Structural Information

Molecular Formula

C₈H₈Cl₂N₂

SMILES

C1CC(C1)C2=CC(=NC(=N2)Cl)Cl

InChI

InChI=1S/C8H8Cl2N2/c9-7-4-6(5-2-1-3-5)11-8(10)12-7/h4-5H,1-3H2

InChIKey

VIXWYMSCZIUVGC-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-cyclobutylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 202.00645 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]+	203.01373	129.2
[M+Na]+	224.99567	140.9
[M+NH4]+	220.04027	135.1
[M+K]+	240.96961	135.1
[M-H]-	200.99917	129.8
[M+Na-2H]-	222.98112	136.2
[M]+	202.00590	130.6
[M]-	202.00700	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe