CID 16457787

901273-30-1

Structural Information

Molecular Formula
C9H8ClF3N4
SMILES
CC(C1=NN=C2N1C=C(C=C2Cl)C(F)(F)F)N
InChI
InChI=1S/C9H8ClF3N4/c1-4(14)7-15-16-8-6(10)2-5(3-17(7)8)9(11,12)13/h2-4H,14H2,1H3
InChIKey
YLWFVXQIWVVTCX-UHFFFAOYSA-N
Compound name
1-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.03897 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04625 151.5
[M+Na]+ 287.02819 164.3
[M-H]- 263.03169 148.9
[M+NH4]+ 282.07279 168.0
[M+K]+ 303.00213 158.5
[M+H-H2O]+ 247.03623 142.0
[M+HCOO]- 309.03717 164.1
[M+CH3COO]- 323.05282 196.8
[M+Na-2H]- 285.01364 155.8
[M]+ 264.03842 150.8
[M]- 264.03952 150.8
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.