CID 43144349

6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Structural Information

Molecular Formula
C7H4ClF3N4
SMILES
C1=CC(=NN2C1=NN=C2CC(F)(F)F)Cl
InChI
InChI=1S/C7H4ClF3N4/c8-4-1-2-5-12-13-6(15(5)14-4)3-7(9,10)11/h1-2H,3H2
InChIKey
RKHIHLDFDRKWDN-UHFFFAOYSA-N
Compound name
6-chloro-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

236.00766 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.014936 142.2
[M+Na]+ 258.996878 156.0
[M-H]- 235.000384 138.4
[M+NH4]+ 254.041483 158.7
[M+K]+ 274.970818 150.5
[M+H-H2O]+ 219.004920 131.8
[M+HCOO]- 281.005861 154.5
[M+CH3COO]- 295.021511 187.6
[M+Na-2H]- 256.982326 149.6
[M]+ 236.00711142 143.0
[M]- 236.00820858 143.0
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