CID 130683165

3-chloro-4-methyl-6-(trifluoromethyl)pyridazine

Structural Information

Molecular Formula
C6H4ClF3N2
SMILES
CC1=CC(=NN=C1Cl)C(F)(F)F
InChI
InChI=1S/C6H4ClF3N2/c1-3-2-4(6(8,9)10)11-12-5(3)7/h2H,1H3
InChIKey
RVCBRCZEQQLLED-UHFFFAOYSA-N
Compound name
3-chloro-4-methyl-6-(trifluoromethyl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.00151 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00879 137.0
[M+Na]+ 218.99073 148.1
[M+NH4]+ 214.03533 142.9
[M+K]+ 234.96467 142.7
[M-H]- 194.99423 133.5
[M+Na-2H]- 216.97618 142.2
[M]+ 196.00096 137.6
[M]- 196.00206 137.6
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

No patent data available for this compound.