CID 3079025

4-chloro-6-(4-chlorophenoxy)pyrimidine

Structural Information

Molecular Formula
C10H6Cl2N2O
SMILES
C1=CC(=CC=C1OC2=CC(=NC=N2)Cl)Cl
InChI
InChI=1S/C10H6Cl2N2O/c11-7-1-3-8(4-2-7)15-10-5-9(12)13-6-14-10/h1-6H
InChIKey
OFUNGGXKORELSZ-UHFFFAOYSA-N
Compound name
4-chloro-6-(4-chlorophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

239.98572 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.99300 144.4
[M+Na]+ 262.97494 155.6
[M-H]- 238.97844 147.9
[M+NH4]+ 258.01954 160.6
[M+K]+ 278.94888 149.9
[M+H-H2O]+ 222.98298 136.9
[M+HCOO]- 284.98392 157.7
[M+CH3COO]- 298.99957 157.2
[M+Na-2H]- 260.96039 152.0
[M]+ 239.98517 148.2
[M]- 239.98627 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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