CID 11425490

5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5HBrClF3N2
SMILES
C1=C(C(=NC(=N1)Cl)C(F)(F)F)Br
InChI
InChI=1S/C5HBrClF3N2/c6-2-1-11-4(7)12-3(2)5(8,9)10/h1H
InChIKey
VTIPESROQQNDJL-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-4-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

259.89636 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.90364 138.2
[M+Na]+ 282.88558 153.7
[M-H]- 258.88908 139.0
[M+NH4]+ 277.93018 157.5
[M+K]+ 298.85952 140.6
[M+H-H2O]+ 242.89362 136.4
[M+HCOO]- 304.89456 150.2
[M+CH3COO]- 318.91021 188.9
[M+Na-2H]- 280.87103 146.6
[M]+ 259.89581 154.8
[M]- 259.89691 154.8
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

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