CID 55251903

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

Structural Information

Molecular Formula
C10H5BrF2N2O
SMILES
C1=CC(=C(C=C1F)F)OC2=NC=C(C=N2)Br
InChI
InChI=1S/C10H5BrF2N2O/c11-6-4-14-10(15-5-6)16-9-2-1-7(12)3-8(9)13/h1-5H
InChIKey
ATRUKAIINKQFHG-UHFFFAOYSA-N
Compound name
5-bromo-2-(2,4-difluorophenoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.95532 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96260 149.8
[M+Na]+ 308.94454 163.6
[M-H]- 284.94804 154.7
[M+NH4]+ 303.98914 167.0
[M+K]+ 324.91848 151.6
[M+H-H2O]+ 268.95258 146.6
[M+HCOO]- 330.95352 168.6
[M+CH3COO]- 344.96917 195.8
[M+Na-2H]- 306.92999 157.6
[M]+ 285.95477 167.7
[M]- 285.95587 167.7
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.