CID 71627338

6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Structural Information

Molecular Formula
C8H6ClF3N4
SMILES
CC1=C(C(=NN2C1=NN=C2C(F)(F)F)Cl)C
InChI
InChI=1S/C8H6ClF3N4/c1-3-4(2)6-13-14-7(8(10,11)12)16(6)15-5(3)9/h1-2H3
InChIKey
LHKSYJDLZQRJEN-UHFFFAOYSA-N
Compound name
6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

250.02332 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03060 147.9
[M+Na]+ 273.01254 163.1
[M-H]- 249.01604 144.8
[M+NH4]+ 268.05714 164.5
[M+K]+ 288.98648 157.3
[M+H-H2O]+ 233.02058 138.0
[M+HCOO]- 295.02152 159.8
[M+CH3COO]- 309.03717 192.9
[M+Na-2H]- 270.99799 153.3
[M]+ 250.02277 149.8
[M]- 250.02387 149.8
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