CID 7131258

1052547-28-0

Structural Information

Molecular Formula
C8H6ClF3N4
SMILES
C1=C(C2=NN=C(N2C=C1C(F)(F)F)CN)Cl
InChI
InChI=1S/C8H6ClF3N4/c9-5-1-4(8(10,11)12)3-16-6(2-13)14-15-7(5)16/h1,3H,2,13H2
InChIKey
CBRZKSUBDJBKIM-UHFFFAOYSA-N
Compound name
[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.02332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03060 147.1
[M+Na]+ 273.01254 160.6
[M-H]- 249.01604 144.5
[M+NH4]+ 268.05714 164.2
[M+K]+ 288.98648 154.5
[M+H-H2O]+ 233.02058 137.6
[M+HCOO]- 295.02152 161.0
[M+CH3COO]- 309.03717 192.9
[M+Na-2H]- 270.99799 153.0
[M]+ 250.02277 146.6
[M]- 250.02387 146.6
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.