CID 20310386

3,4,5-trifluoropyridazine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

134.00919 Da
Monoisotopic Mass

0.5
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

No literature data available for this compound.

Patent stripe

patents stripe