CID 11593677

4-chloro-6-phenoxypyrimidine

Structural Information

Molecular Formula
C10H7ClN2O
SMILES
C1=CC=C(C=C1)OC2=CC(=NC=N2)Cl
InChI
InChI=1S/C10H7ClN2O/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8/h1-7H
InChIKey
KHGWFZBIISKKRP-UHFFFAOYSA-N
Compound name
4-chloro-6-phenoxypyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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

literature stripe

Patent stripe

patents stripe