CID 40145652

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

Structural Information

Molecular Formula
C10H6ClFN2O
SMILES
C1=CC(=CC=C1OC2=NC(=NC=C2)Cl)F
InChI
InChI=1S/C10H6ClFN2O/c11-10-13-6-5-9(14-10)15-8-3-1-7(12)2-4-8/h1-6H
InChIKey
PIGAFNQZHMMICP-UHFFFAOYSA-N
Compound name
2-chloro-4-(4-fluorophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

224.01527 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02255 141.6
[M+Na]+ 247.00449 152.6
[M-H]- 223.00799 144.5
[M+NH4]+ 242.04909 158.0
[M+K]+ 262.97843 147.5
[M+H-H2O]+ 207.01253 132.7
[M+HCOO]- 269.01347 159.1
[M+CH3COO]- 283.02912 154.7
[M+Na-2H]- 244.98994 149.4
[M]+ 224.01472 143.4
[M]- 224.01582 143.4
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