CID 21614698

3,5-difluoropyridazine

Structural Information

Molecular Formula
C4H2F2N2
SMILES
C1=C(C=NN=C1F)F
InChI
InChI=1S/C4H2F2N2/c5-3-1-4(6)8-7-2-3/h1-2H
InChIKey
FFLGAQHDXZYQGZ-UHFFFAOYSA-N
Compound name
3,5-difluoropyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

116.01861 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.02589 114.3
[M+Na]+ 139.00783 125.0
[M-H]- 115.01133 113.2
[M+NH4]+ 134.05243 134.4
[M+K]+ 154.98177 123.3
[M+H-H2O]+ 99.015870 106.1
[M+HCOO]- 161.01681 135.8
[M+CH3COO]- 175.03246 168.3
[M+Na-2H]- 136.99328 123.6
[M]+ 116.01806 111.6
[M]- 116.01916 111.6
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