CID 12440902

1850-98-2

Structural Information

Molecular Formula

C₇H₈Cl₂N₂

SMILES

CC(C)C1=NC(=CC(=N1)Cl)Cl

InChI

InChI=1S/C7H8Cl2N2/c1-4(2)7-10-5(8)3-6(9)11-7/h3-4H,1-2H3

InChIKey

GZRKQOQFSXBYTB-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-propan-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 190.00645 Da
Monoisotopic Mass: 3.3
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]+	191.01373	135.2
[M+Na]+	212.99567	150.8
[M+NH4]+	208.04027	144.3
[M+K]+	228.96961	143.3
[M-H]-	188.99917	136.7
[M+Na-2H]-	210.98112	142.9
[M]+	190.00590	138.5
[M]-	190.00700	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe