CID 53440049

4,6-dichloro-2-(4-fluorophenyl)pyrimidine

Structural Information

Molecular Formula

C₁₀H₅Cl₂FN₂

SMILES

C1=CC(=CC=C1C2=NC(=CC(=N2)Cl)Cl)F

InChI

InChI=1S/C10H5Cl2FN2/c11-8-5-9(12)15-10(14-8)6-1-3-7(13)4-2-6/h1-5H

InChIKey

YMNNLJCYQPKHEB-UHFFFAOYSA-N

Compound name

4,6-dichloro-2-(4-fluorophenyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 241.98138 Da
Monoisotopic Mass: 4.3
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]+	242.98866	143.5
[M+Na]+	264.97060	155.7
[M-H]-	240.97410	145.9
[M+NH4]+	260.01520	159.9
[M+K]+	280.94454	149.0
[M+H-H2O]+	224.97864	135.4
[M+HCOO]-	286.97958	155.5
[M+CH3COO]-	300.99523	156.2
[M+Na-2H]-	262.95605	149.8
[M]+	241.98083	145.4
[M]-	241.98193	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe