CID 28317420

2243507-12-0

Structural Information

Molecular Formula
C12H9FN4
SMILES
C1=CC(=CC=C1C2=NN=C3N2C=C(C=C3)N)F
InChI
InChI=1S/C12H9FN4/c13-9-3-1-8(2-4-9)12-16-15-11-6-5-10(14)7-17(11)12/h1-7H,14H2
InChIKey
XRPOEIOBLVKRFT-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08113 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.08841 146.9
[M+Na]+ 251.07035 159.0
[M-H]- 227.07385 150.2
[M+NH4]+ 246.11495 163.6
[M+K]+ 267.04429 153.1
[M+H-H2O]+ 211.07839 137.1
[M+HCOO]- 273.07933 169.4
[M+CH3COO]- 287.09498 159.9
[M+Na-2H]- 249.05580 154.2
[M]+ 228.08058 146.5
[M]- 228.08168 146.5
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.