CID 15738775

2-fluoro-4,6-dimethylpyrimidine

Structural Information

Molecular Formula
C6H7FN2
SMILES
CC1=CC(=NC(=N1)F)C
InChI
InChI=1S/C6H7FN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
InChIKey
JQWBTFGGAKGQPA-UHFFFAOYSA-N
Compound name
2-fluoro-4,6-dimethylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

126.059326 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06660 120.8
[M+Na]+ 149.04854 131.6
[M-H]- 125.05205 121.2
[M+NH4]+ 144.09315 141.0
[M+K]+ 165.02248 129.9
[M+H-H2O]+ 109.05659 113.6
[M+HCOO]- 171.05753 142.8
[M+CH3COO]- 185.07318 172.7
[M+Na-2H]- 147.03399 128.9
[M]+ 126.05878 120.4
[M]- 126.05987 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe