CID 11230678

4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine

Structural Information

Molecular Formula

C₁₀H₅Cl₂FN₂O

SMILES

C1=CC=C(C(=C1)OC2=C(C(=NC=N2)Cl)F)Cl

InChI

InChI=1S/C10H5Cl2FN2O/c11-6-3-1-2-4-7(6)16-10-8(13)9(12)14-5-15-10/h1-5H

InChIKey

RGBIKVOIODUDLX-UHFFFAOYSA-N

Compound name

4-chloro-6-(2-chlorophenoxy)-5-fluoropyrimidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 62
Patents: 257.9763 Da
Monoisotopic Mass: 3.8
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]+	258.983576	146.3
[M+Na]+	280.965518	158.4
[M-H]-	256.969024	148.7
[M+NH4]+	276.010123	162.0
[M+K]+	296.939458	152.3
[M+H-H2O]+	240.973560	138.0
[M+HCOO]-	302.974501	158.5
[M+CH3COO]-	316.990151	158.9
[M+Na-2H]-	278.950966	152.6
[M]+	257.97575142	149.6
[M]-	257.97684858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe