CID 71748458

5-bromo-6-(trifluoromethyl)pyrimidin-4-amine

Structural Information

Molecular Formula
C5H3BrF3N3
SMILES
C1=NC(=C(C(=N1)N)Br)C(F)(F)F
InChI
InChI=1S/C5H3BrF3N3/c6-2-3(5(7,8)9)11-1-12-4(2)10/h1H,(H2,10,11,12)
InChIKey
RYPIPAUETYMWCO-UHFFFAOYSA-N
Compound name
5-bromo-6-(trifluoromethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe