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

77
Patents

126.059326 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06660 122.9
[M+Na]+ 149.04854 136.4
[M+NH4]+ 144.09315 131.1
[M+K]+ 165.02248 129.7
[M-H]- 125.05205 123.2
[M+Na-2H]- 147.03399 130.6
[M]+ 126.05878 124.8
[M]- 126.05987 124.8
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