CID 3008440

2,4-bis(4-bromophenoxy)pyrimidine

Structural Information

Molecular Formula
C16H10Br2N2O2
SMILES
C1=CC(=CC=C1OC2=NC(=NC=C2)OC3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C16H10Br2N2O2/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
XCVALCNQCMHGCT-UHFFFAOYSA-N
Compound name
2,4-bis(4-bromophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.9109 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.91818 163.7
[M+Na]+ 442.90012 173.6
[M-H]- 418.90362 173.0
[M+NH4]+ 437.94472 176.5
[M+K]+ 458.87406 159.2
[M+H-H2O]+ 402.90816 170.3
[M+HCOO]- 464.90910 178.8
[M+CH3COO]- 478.92475 176.2
[M+Na-2H]- 440.88557 171.4
[M]+ 419.91035 199.3
[M]- 419.91145 199.3
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.