CID 12679944

2-chloro-4-phenoxypyrimidine

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC=C(C=C1)OC2=NC(=NC=C2)Cl
InChI
InChI=1S/C10H7ClN2O/c11-10-12-7-6-9(13-10)14-8-4-2-1-3-5-8/h1-7H
InChIKey
HCMUSBXMZQRDCA-UHFFFAOYSA-N
Compound name
2-chloro-4-phenoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

206.02469 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.031966 139.2
[M+Na]+ 229.013908 149.2
[M-H]- 205.017414 143.2
[M+NH4]+ 224.058513 156.1
[M+K]+ 244.987848 144.7
[M+H-H2O]+ 189.021950 131.1
[M+HCOO]- 251.022891 157.8
[M+CH3COO]- 265.038541 152.5
[M+Na-2H]- 226.999356 148.4
[M]+ 206.02414142 141.6
[M]- 206.02523858 141.6
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