CID 67335834

8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

Structural Information

Molecular Formula
C7H4ClF3N4
SMILES
C1=C(C2=NC(=NN2C=C1C(F)(F)F)N)Cl
InChI
InChI=1S/C7H4ClF3N4/c8-4-1-3(7(9,10)11)2-15-5(4)13-6(12)14-15/h1-2H,(H2,12,14)
InChIKey
LLAPLJGOFXCNFY-UHFFFAOYSA-N
Compound name
8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

236.00766 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.01494 142.4
[M+Na]+ 258.99688 156.3
[M-H]- 235.00038 140.0
[M+NH4]+ 254.04148 160.1
[M+K]+ 274.97082 150.5
[M+H-H2O]+ 219.00492 133.1
[M+HCOO]- 281.00586 156.6
[M+CH3COO]- 295.02151 189.9
[M+Na-2H]- 256.98233 148.8
[M]+ 236.00711 141.6
[M]- 236.00821 141.6
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

patents stripe