CID 3008439

2,4-bis(4-chlorophenoxy)pyrimidine

Structural Information

Molecular Formula
C16H10Cl2N2O2
SMILES
C1=CC(=CC=C1OC2=NC(=NC=C2)OC3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H10Cl2N2O2/c17-11-1-5-13(6-2-11)21-15-9-10-19-16(20-15)22-14-7-3-12(18)4-8-14/h1-10H
InChIKey
XZCHTMNYTLXWQX-UHFFFAOYSA-N
Compound name
2,4-bis(4-chlorophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

332.01193 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.01921 169.8
[M+Na]+ 355.00115 180.4
[M-H]- 331.00465 176.1
[M+NH4]+ 350.04575 181.8
[M+K]+ 370.97509 173.6
[M+H-H2O]+ 315.00919 159.9
[M+HCOO]- 377.01013 182.4
[M+CH3COO]- 391.02578 181.0
[M+Na-2H]- 352.98660 175.8
[M]+ 332.01138 175.1
[M]- 332.01248 175.1
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

No patent data available for this compound.