CID 21698474

4-chloro-6-(chloromethyl)pyrimidine

Structural Information

Molecular Formula

C₅H₄Cl₂N₂

SMILES

C1=C(N=CN=C1Cl)CCl

InChI

InChI=1S/C5H4Cl2N2/c6-2-4-1-5(7)9-3-8-4/h1,3H,2H2

InChIKey

UICZKLGFGMANCR-UHFFFAOYSA-N

Compound name

4-chloro-6-(chloromethyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 161.97516 Da
Monoisotopic Mass: 1.6
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]+	162.98244	126.1
[M+Na]+	184.96438	142.0
[M+NH4]+	180.00898	135.6
[M+K]+	200.93832	134.0
[M-H]-	160.96788	127.8
[M+Na-2H]-	182.94983	134.9
[M]+	161.97461	129.5
[M]-	161.97571	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe