CID 336951

2,4-difluoro-6-methylpyrimidine

Structural Information

Molecular Formula
C5H4F2N2
SMILES
CC1=CC(=NC(=N1)F)F
InChI
InChI=1S/C5H4F2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKey
YKLOPWRWWFKUBX-UHFFFAOYSA-N
Compound name
2,4-difluoro-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

130.03426 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe