CID 1472385

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

Structural Information

Molecular Formula
C6H3ClF2N4
SMILES
C1=CC(=NN2C1=NN=C2C(F)F)Cl
InChI
InChI=1S/C6H3ClF2N4/c7-3-1-2-4-10-11-6(5(8)9)13(4)12-3/h1-2,5H
InChIKey
ROMPZOMVJLWOLW-UHFFFAOYSA-N
Compound name
6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

30
Patents

204.00143 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.00871 132.7
[M+Na]+ 226.99065 146.2
[M-H]- 202.99415 130.1
[M+NH4]+ 222.03525 150.3
[M+K]+ 242.96459 141.4
[M+H-H2O]+ 186.99869 123.0
[M+HCOO]- 248.99963 147.1
[M+CH3COO]- 263.01528 145.8
[M+Na-2H]- 224.97610 139.6
[M]+ 204.00088 134.4
[M]- 204.00198 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe