CID 19371731

4,5-dichloro-6-isopropylpyrimidine

Structural Information

Molecular Formula

C₇H₈Cl₂N₂

SMILES

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

InChI

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

InChIKey

DLICKGPXHFTODT-UHFFFAOYSA-N

Compound name

4,5-dichloro-6-propan-2-ylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 190.00645 Da
Monoisotopic Mass: 3.0
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	133.2
[M+Na]+	212.99567	144.0
[M-H]-	188.99917	133.7
[M+NH4]+	208.04027	151.8
[M+K]+	228.96961	139.6
[M+H-H2O]+	173.00371	127.6
[M+HCOO]-	235.00465	144.9
[M+CH3COO]-	249.02030	182.5
[M+Na-2H]-	210.98112	138.8
[M]+	190.00590	136.1
[M]-	190.00700	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe