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
1
Annotation Hits

0
References

59
Patents

257.9763 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.98358 146.3
[M+Na]+ 280.96552 158.4
[M-H]- 256.96902 148.7
[M+NH4]+ 276.01012 162.0
[M+K]+ 296.93946 152.3
[M+H-H2O]+ 240.97356 138.0
[M+HCOO]- 302.97450 158.5
[M+CH3COO]- 316.99015 158.9
[M+Na-2H]- 278.95097 152.6
[M]+ 257.97575 149.6
[M]- 257.97685 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe