CID 60155907

5-bromo-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine

Structural Information

Molecular Formula
C6H5BrF3N3O
SMILES
C1=C(C(=NC(=N1)N)OCC(F)(F)F)Br
InChI
InChI=1S/C6H5BrF3N3O/c7-3-1-12-5(11)13-4(3)14-2-6(8,9)10/h1H,2H2,(H2,11,12,13)
InChIKey
STJDVVZXTNBLLV-UHFFFAOYSA-N
Compound name
5-bromo-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.95682 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.96410 147.0
[M+Na]+ 293.94604 160.0
[M-H]- 269.94954 147.1
[M+NH4]+ 288.99064 164.3
[M+K]+ 309.91998 148.2
[M+H-H2O]+ 253.95408 143.4
[M+HCOO]- 315.95502 163.5
[M+CH3COO]- 329.97067 193.8
[M+Na-2H]- 291.93149 154.2
[M]+ 270.95627 161.8
[M]- 270.95737 161.8
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.