CID 45382152

5-bromo-4-trifluoromethyl-pyrimidin-2-ylamine

Structural Information

Molecular Formula
C5H3BrF3N3
SMILES
C1=C(C(=NC(=N1)N)C(F)(F)F)Br
InChI
InChI=1S/C5H3BrF3N3/c6-2-1-11-4(10)12-3(2)5(7,8)9/h1H,(H2,10,11,12)
InChIKey
FAMGPURZLOTOKD-UHFFFAOYSA-N
Compound name
5-bromo-4-(trifluoromethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

123
Patents

240.94624 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.95352 139.9
[M+Na]+ 263.93546 153.6
[M-H]- 239.93896 140.3
[M+NH4]+ 258.98006 158.4
[M+K]+ 279.90940 141.5
[M+H-H2O]+ 223.94350 136.8
[M+HCOO]- 285.94444 156.6
[M+CH3COO]- 299.96009 189.1
[M+Na-2H]- 261.92091 147.7
[M]+ 240.94569 153.1
[M]- 240.94679 153.1
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