CID 5072307

2-chloro-5-fluoro-n-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C5H5ClFN3
SMILES
CNC1=NC(=NC=C1F)Cl
InChI
InChI=1S/C5H5ClFN3/c1-8-4-3(7)2-9-5(6)10-4/h2H,1H3,(H,8,9,10)
InChIKey
VYADLELCFPIRRE-UHFFFAOYSA-N
Compound name
2-chloro-5-fluoro-N-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

161.01561 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.02289 126.4
[M+Na]+ 184.00483 137.3
[M-H]- 160.00833 126.5
[M+NH4]+ 179.04943 145.6
[M+K]+ 199.97877 133.7
[M+H-H2O]+ 144.01287 119.3
[M+HCOO]- 206.01381 145.0
[M+CH3COO]- 220.02946 178.2
[M+Na-2H]- 181.99028 134.7
[M]+ 161.01506 126.6
[M]- 161.01616 126.6
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