CID 55252106

5-bromo-2-(2,4-dichlorophenoxy)pyrimidine

Structural Information

Molecular Formula
C10H5BrCl2N2O
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=NC=C(C=N2)Br
InChI
InChI=1S/C10H5BrCl2N2O/c11-6-4-14-10(15-5-6)16-9-2-1-7(12)3-8(9)13/h1-5H
InChIKey
OGSGGHXIEGDQEL-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,4-dichlorophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.89624 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.90352 149.4
[M+Na]+ 340.88546 164.5
[M-H]- 316.88896 155.9
[M+NH4]+ 335.93006 166.8
[M+K]+ 356.85940 150.7
[M+H-H2O]+ 300.89350 148.9
[M+HCOO]- 362.89444 160.9
[M+CH3COO]- 376.91009 164.0
[M+Na-2H]- 338.87091 157.7
[M]+ 317.89569 171.9
[M]- 317.89679 171.9
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

No patent data available for this compound.