CID 133056861

6-bromo-5-fluoro-2-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H5BrFN3
SMILES
CC1=NC(=C(C(=N1)Br)F)N
InChI
InChI=1S/C5H5BrFN3/c1-2-9-4(6)3(7)5(8)10-2/h1H3,(H2,8,9,10)
InChIKey
WFAGZOORDCAJNC-UHFFFAOYSA-N
Compound name
6-bromo-5-fluoro-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.96509 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.97237 130.6
[M+Na]+ 227.95431 144.7
[M-H]- 203.95781 133.6
[M+NH4]+ 222.99891 150.8
[M+K]+ 243.92825 133.1
[M+H-H2O]+ 187.96235 129.0
[M+HCOO]- 249.96329 150.8
[M+CH3COO]- 263.97894 185.3
[M+Na-2H]- 225.93976 138.6
[M]+ 204.96454 147.1
[M]- 204.96564 147.1
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

No patent data available for this compound.