CID 11264639

4-bromo-6-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C5H2BrF3N2
SMILES
C1=C(N=CN=C1Br)C(F)(F)F
InChI
InChI=1S/C5H2BrF3N2/c6-4-1-3(5(7,8)9)10-2-11-4/h1-2H
InChIKey
AGUIEFSLABIYOT-UHFFFAOYSA-N
Compound name
4-bromo-6-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

225.93535 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.94263 135.4
[M+Na]+ 248.92457 149.2
[M-H]- 224.92807 136.1
[M+NH4]+ 243.96917 155.0
[M+K]+ 264.89851 138.0
[M+H-H2O]+ 208.93261 133.0
[M+HCOO]- 270.93355 151.8
[M+CH3COO]- 284.94920 184.2
[M+Na-2H]- 246.91002 144.7
[M]+ 225.93480 150.0
[M]- 225.93590 150.0
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

patents stripe