CID 76850150

5-phenoxypyrimidine

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)OC2=CN=CN=C2
InChI
InChI=1S/C10H8N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-8H
InChIKey
VQAJURRYDSTTMS-UHFFFAOYSA-N
Compound name
5-phenoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

172.06366 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 133.6
[M+Na]+ 195.05288 142.0
[M-H]- 171.05638 137.6
[M+NH4]+ 190.09748 150.7
[M+K]+ 211.02682 139.1
[M+H-H2O]+ 155.06092 125.0
[M+HCOO]- 217.06186 156.9
[M+CH3COO]- 231.07751 147.0
[M+Na-2H]- 193.03833 144.1
[M]+ 172.06311 133.6
[M]- 172.06421 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe