CID 45080449

4,6-difluoro-5-methylpyrimidine

Structural Information

Molecular Formula
C5H4F2N2
SMILES
CC1=C(N=CN=C1F)F
InChI
InChI=1S/C5H4F2N2/c1-3-4(6)8-2-9-5(3)7/h2H,1H3
InChIKey
FJIZSGSZCDMMMY-UHFFFAOYSA-N
Compound name
4,6-difluoro-5-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

130.03426 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.04154 123.3
[M+Na]+ 153.02348 135.9
[M+NH4]+ 148.06808 130.6
[M+K]+ 168.99742 129.9
[M-H]- 129.02698 122.0
[M+Na-2H]- 151.00893 129.9
[M]+ 130.03371 124.5
[M]- 130.03481 124.5
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