CID 33781667

94170-67-9

Structural Information

Molecular Formula

C₇H₈Cl₂N₂

SMILES

CCC1=NC(=CC(=N1)Cl)CCl

InChI

InChI=1S/C7H8Cl2N2/c1-2-7-10-5(4-8)3-6(9)11-7/h3H,2,4H2,1H3

InChIKey

IFPNQTDNYGOIAK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.00645 Da
Monoisotopic Mass: 2.4
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	135.0
[M+Na]+	212.99567	150.9
[M+NH4]+	208.04027	144.2
[M+K]+	228.96961	142.6
[M-H]-	188.99917	136.7
[M+Na-2H]-	210.98112	143.0
[M]+	190.00590	138.4
[M]-	190.00700	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.