CID 118822960

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.