CID 10012458

2,4-dichloro-5-ethylpyrimidine

Structural Information

Molecular Formula

C₆H₆Cl₂N₂

SMILES

CCC1=CN=C(N=C1Cl)Cl

InChI

InChI=1S/C6H6Cl2N2/c1-2-4-3-9-6(8)10-5(4)7/h3H,2H2,1H3

InChIKey

YFYFVWTWMBQHOH-UHFFFAOYSA-N

Compound name

2,4-dichloro-5-ethylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 214
Patents: 175.9908 Da
Monoisotopic Mass: 2.9
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