CID 116473765

4-bromo-6-(2,2,2-trifluoroethoxy)pyrimidine

Structural Information

Molecular Formula
C6H4BrF3N2O
SMILES
C1=C(N=CN=C1Br)OCC(F)(F)F
InChI
InChI=1S/C6H4BrF3N2O/c7-4-1-5(12-3-11-4)13-2-6(8,9)10/h1,3H,2H2
InChIKey
MNYQKSCEFKEYNF-UHFFFAOYSA-N
Compound name
4-bromo-6-(2,2,2-trifluoroethoxy)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

255.9459 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.953176 142.8
[M+Na]+ 278.935118 156.1
[M-H]- 254.938624 143.3
[M+NH4]+ 273.979723 161.1
[M+K]+ 294.909058 145.1
[M+H-H2O]+ 238.943160 140.0
[M+HCOO]- 300.944101 159.1
[M+CH3COO]- 314.959751 188.9
[M+Na-2H]- 276.920566 151.5
[M]+ 255.94535142 159.1
[M]- 255.94644858 159.1
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

patents stripe