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

13
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 118.8
[M+Na]+ 153.02348 130.0
[M-H]- 129.02698 117.9
[M+NH4]+ 148.06808 138.7
[M+K]+ 168.99742 128.0
[M+H-H2O]+ 113.03152 110.7
[M+HCOO]- 175.03246 140.0
[M+CH3COO]- 189.04811 172.4
[M+Na-2H]- 151.00893 126.8
[M]+ 130.03371 116.8
[M]- 130.03481 116.8
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