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

55
Patents

239.951 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95828 140.1
[M+Na]+ 262.94022 153.5
[M-H]- 238.94372 140.6
[M+NH4]+ 257.98482 159.1
[M+K]+ 278.91416 142.0
[M+H-H2O]+ 222.94826 137.5
[M+HCOO]- 284.94920 156.2
[M+CH3COO]- 298.96485 187.1
[M+Na-2H]- 260.92567 148.8
[M]+ 239.95045 155.1
[M]- 239.95155 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