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

52
Patents

203.04189 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.049166 136.8
[M+Na]+ 226.031108 149.7
[M-H]- 202.034614 133.2
[M+NH4]+ 221.075713 153.4
[M+K]+ 242.005048 145.6
[M+H-H2O]+ 186.039150 126.5
[M+HCOO]- 248.040091 154.8
[M+CH3COO]- 262.055741 185.0
[M+Na-2H]- 224.016556 145.0
[M]+ 203.04134142 134.0
[M]- 203.04243858 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