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

210
Patents

215.94688 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.95416 131.1
[M+Na]+ 238.93610 143.5
[M-H]- 214.93960 128.1
[M+NH4]+ 233.98070 148.6
[M+K]+ 254.91004 138.2
[M+H-H2O]+ 198.94414 123.3
[M+HCOO]- 260.94508 139.7
[M+CH3COO]- 274.96073 183.5
[M+Na-2H]- 236.92155 137.8
[M]+ 215.94633 130.0
[M]- 215.94743 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