CID 3572764

4,5,6-trifluoropyrimidine

Structural Information

Molecular Formula
C4HF3N2
SMILES
C1=NC(=C(C(=N1)F)F)F
InChI
InChI=1S/C4HF3N2/c5-2-3(6)8-1-9-4(2)7/h1H
InChIKey
AQKOJKCYBNUFLU-UHFFFAOYSA-N
Compound name
4,5,6-trifluoropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

134.00919 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.01647 116.7
[M+Na]+ 156.99841 128.3
[M-H]- 133.00191 114.6
[M+NH4]+ 152.04301 136.3
[M+K]+ 172.97235 126.1
[M+H-H2O]+ 117.00645 107.8
[M+HCOO]- 179.00739 137.1
[M+CH3COO]- 193.02304 172.2
[M+Na-2H]- 154.98386 124.6
[M]+ 134.00864 113.1
[M]- 134.00974 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