CID 3063193

Sr 95369

Structural Information

Molecular Formula
C12H9ClN4
SMILES
CC1=NN=C2N1N=CC(=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C12H9ClN4/c1-8-15-16-12-6-10(7-14-17(8)12)9-2-4-11(13)5-3-9/h2-7H,1H3
InChIKey
LLFRNFFAQJKMGI-UHFFFAOYSA-N
Compound name
7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.05157 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05885 150.9
[M+Na]+ 267.04079 169.2
[M+NH4]+ 262.08539 159.8
[M+K]+ 283.01473 162.2
[M-H]- 243.04429 154.3
[M+Na-2H]- 265.02624 161.0
[M]+ 244.05102 155.0
[M]- 244.05212 155.0
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

No patent data available for this compound.