CID 46847207

3,6-dichloro-4-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula
C5HCl2F3N2
SMILES
C1=C(C(=NN=C1Cl)Cl)C(F)(F)F
InChI
InChI=1S/C5HCl2F3N2/c6-3-1-2(5(8,9)10)4(7)12-11-3/h1H
InChIKey
FCAYXJJTFRBHIQ-UHFFFAOYSA-N
Compound name
3,6-dichloro-4-(trifluoromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

215.94688 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.954156 131.1
[M+Na]+ 238.936098 143.5
[M-H]- 214.939604 128.1
[M+NH4]+ 233.980703 148.6
[M+K]+ 254.910038 138.2
[M+H-H2O]+ 198.944140 123.3
[M+HCOO]- 260.945081 139.7
[M+CH3COO]- 274.960731 183.5
[M+Na-2H]- 236.921546 137.8
[M]+ 215.94633142 130.0
[M]- 215.94742858 130.0
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