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]+ 127.06660 121.2
[M+Na]+ 149.04854 131.0
[M-H]- 125.05205 121.1
[M+NH4]+ 144.09315 141.0
[M+K]+ 165.02248 129.2
[M+H-H2O]+ 109.05659 113.6
[M+HCOO]- 171.05753 143.1
[M+CH3COO]- 185.07318 171.5
[M+Na-2H]- 147.03399 129.9
[M]+ 126.05878 120.3
[M]- 126.05987 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