CID 33781222

85878-85-9

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

CC1=NC(=CC(=N1)Cl)CCl

InChI

InChI=1S/C6H6Cl2N2/c1-4-9-5(3-7)2-6(8)10-4/h2H,3H2,1H3

InChIKey

RAEIRFVKAXHLHO-UHFFFAOYSA-N

Compound name

4-chloro-6-(chloromethyl)-2-methylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 175.9908 Da
Monoisotopic Mass: 2.0
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]+	176.99808	130.5
[M+Na]+	198.98002	146.6
[M+NH4]+	194.02462	139.8
[M+K]+	214.95396	138.5
[M-H]-	174.98352	132.2
[M+Na-2H]-	196.96547	138.8
[M]+	175.99025	134.0
[M]-	175.99135	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe