CID 69677

2,4,6-trifluoropyrimidine

Structural Information

Molecular Formula
C4HF3N2
SMILES
C1=C(N=C(N=C1F)F)F
InChI
InChI=1S/C4HF3N2/c5-2-1-3(6)9-4(7)8-2/h1H
InChIKey
NTSYSQNAPGMSIH-UHFFFAOYSA-N
Compound name
2,4,6-trifluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

820
Patents

134.00919 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.016466 116.7
[M+Na]+ 156.998408 128.3
[M-H]- 133.001914 114.6
[M+NH4]+ 152.043013 136.3
[M+K]+ 172.972348 126.1
[M+H-H2O]+ 117.006450 107.8
[M+HCOO]- 179.007391 137.1
[M+CH3COO]- 193.023041 172.2
[M+Na-2H]- 154.983856 124.6
[M]+ 134.00864142 113.1
[M]- 134.00973858 113.1
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