CID 43144393

6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1CC1C2=NN=C3N2N=C(C=C3)Cl
InChI
InChI=1S/C8H7ClN4/c9-6-3-4-7-10-11-8(5-1-2-5)13(7)12-6/h3-5H,1-2H2
InChIKey
VJYULOBBCNCMJY-UHFFFAOYSA-N
Compound name
6-chloro-3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.03592 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 148.3
[M+Na]+ 217.02514 162.6
[M-H]- 193.02864 151.3
[M+NH4]+ 212.06974 161.3
[M+K]+ 232.99908 156.0
[M+H-H2O]+ 177.03318 139.1
[M+HCOO]- 239.03412 165.4
[M+CH3COO]- 253.04977 160.8
[M+Na-2H]- 215.01059 154.9
[M]+ 194.03537 153.4
[M]- 194.03647 153.4
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