CID 4915708

3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Structural Information

Molecular Formula
C6H4F3N5
SMILES
C1=CC2=NN=C(N2N=C1N)C(F)(F)F
InChI
InChI=1S/C6H4F3N5/c7-6(8,9)5-12-11-4-2-1-3(10)13-14(4)5/h1-2H,(H2,10,13)
InChIKey
OCWFSMZRPYSHFY-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

203.04189 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04917 136.8
[M+Na]+ 226.03111 149.7
[M-H]- 202.03461 133.2
[M+NH4]+ 221.07571 153.4
[M+K]+ 242.00505 145.6
[M+H-H2O]+ 186.03915 126.5
[M+HCOO]- 248.04009 154.8
[M+CH3COO]- 262.05574 185.0
[M+Na-2H]- 224.01656 145.0
[M]+ 203.04134 134.0
[M]- 203.04244 134.0
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