CID 65712872

4-(3-bromo-4-fluorophenyl)-2,6-dichloropyrimidine

Structural Information

Molecular Formula

C₁₀H₄BrCl₂FN₂

SMILES

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

InChI

InChI=1S/C10H4BrCl2FN2/c11-6-3-5(1-2-7(6)14)8-4-9(12)16-10(13)15-8/h1-4H

InChIKey

BGEHRXVGRZJABU-UHFFFAOYSA-N

Compound name

4-(3-bromo-4-fluorophenyl)-2,6-dichloropyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.89188 Da
Monoisotopic Mass: 4.6
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]+	320.899156	150.1
[M+Na]+	342.881098	166.2
[M-H]-	318.884604	155.5
[M+NH4]+	337.925703	167.6
[M+K]+	358.855038	151.4
[M+H-H2O]+	302.889140	149.0
[M+HCOO]-	364.890081	160.4
[M+CH3COO]-	378.905731	164.6
[M+Na-2H]-	340.866546	157.1
[M]+	319.89133142	170.7
[M]-	319.89242858	170.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.