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]+ 237.01494 142.2
[M+Na]+ 258.99688 156.0
[M-H]- 235.00038 138.4
[M+NH4]+ 254.04148 158.7
[M+K]+ 274.97082 150.5
[M+H-H2O]+ 219.00492 131.8
[M+HCOO]- 281.00586 154.5
[M+CH3COO]- 295.02151 187.6
[M+Na-2H]- 256.98233 149.6
[M]+ 236.00711 143.0
[M]- 236.00821 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