CID 23080920

5-(bromomethyl)-2-(trifluoromethyl)pyrimidine

Structural Information

Molecular Formula
C6H4BrF3N2
SMILES
C1=C(C=NC(=N1)C(F)(F)F)CBr
InChI
InChI=1S/C6H4BrF3N2/c7-1-4-2-11-5(12-3-4)6(8,9)10/h2-3H,1H2
InChIKey
LAZGEURDWNHKNA-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-2-(trifluoromethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

239.951 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.958276 140.1
[M+Na]+ 262.940218 153.5
[M-H]- 238.943724 140.6
[M+NH4]+ 257.984823 159.1
[M+K]+ 278.914158 142.0
[M+H-H2O]+ 222.948260 137.5
[M+HCOO]- 284.949201 156.2
[M+CH3COO]- 298.964851 187.1
[M+Na-2H]- 260.925666 148.8
[M]+ 239.95045142 155.1
[M]- 239.95154858 155.1
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