CID 748216

4-fluoro-6-phenoxypyrimidin-2-amine

Structural Information

Molecular Formula
C10H8FN3O
SMILES
C1=CC=C(C=C1)OC2=CC(=NC(=N2)N)F
InChI
InChI=1S/C10H8FN3O/c11-8-6-9(14-10(12)13-8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKey
VAALKUKMPRWQEX-UHFFFAOYSA-N
Compound name
4-fluoro-6-phenoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06514 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.07242 141.1
[M+Na]+ 228.05436 150.6
[M-H]- 204.05786 143.9
[M+NH4]+ 223.09896 156.9
[M+K]+ 244.02830 146.7
[M+H-H2O]+ 188.06240 131.6
[M+HCOO]- 250.06334 163.8
[M+CH3COO]- 264.07899 186.5
[M+Na-2H]- 226.03981 148.9
[M]+ 205.06459 139.2
[M]- 205.06569 139.2
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.