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]+ 207.03197 139.2
[M+Na]+ 229.01391 149.2
[M-H]- 205.01741 143.2
[M+NH4]+ 224.05851 156.1
[M+K]+ 244.98785 144.7
[M+H-H2O]+ 189.02195 131.1
[M+HCOO]- 251.02289 157.8
[M+CH3COO]- 265.03854 152.5
[M+Na-2H]- 226.99936 148.4
[M]+ 206.02414 141.6
[M]- 206.02524 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