CID 19074919

4-ethyl-5-fluoropyrimidine

Structural Information

Molecular Formula
C6H7FN2
SMILES
CCC1=NC=NC=C1F
InChI
InChI=1S/C6H7FN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3
InChIKey
AYZDRTRWCASUFO-UHFFFAOYSA-N
Compound name
4-ethyl-5-fluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

126.059326 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.066602 121.2
[M+Na]+ 149.048544 131.0
[M-H]- 125.052050 121.1
[M+NH4]+ 144.093149 141.0
[M+K]+ 165.022484 129.2
[M+H-H2O]+ 109.056586 113.6
[M+HCOO]- 171.057527 143.1
[M+CH3COO]- 185.073177 171.5
[M+Na-2H]- 147.033992 129.9
[M]+ 126.05877742 120.3
[M]- 126.05987458 120.3
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