CID 79081416

2-chloro-5-fluoro-4-(2-fluorophenoxy)pyrimidine

Structural Information

Molecular Formula
C10H5ClF2N2O
SMILES
C1=CC=C(C(=C1)OC2=NC(=NC=C2F)Cl)F
InChI
InChI=1S/C10H5ClF2N2O/c11-10-14-5-7(13)9(15-10)16-8-4-2-1-3-6(8)12/h1-5H
InChIKey
XYGGUKIICMIVCW-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-4-(2-fluorophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.00584 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.01312 144.0
[M+Na]+ 264.99506 156.0
[M-H]- 240.99856 145.9
[M+NH4]+ 260.03966 159.9
[M+K]+ 280.96900 150.4
[M+H-H2O]+ 225.00310 134.3
[M+HCOO]- 287.00404 160.4
[M+CH3COO]- 301.01969 156.9
[M+Na-2H]- 262.98051 150.5
[M]+ 242.00529 145.1
[M]- 242.00639 145.1
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

No patent data available for this compound.