CID 30772124

3-ethynyl-5-(trifluoromethyl)pyridin-2-amine

Structural Information

Molecular Formula
C8H5F3N2
SMILES
C#CC1=C(N=CC(=C1)C(F)(F)F)N
InChI
InChI=1S/C8H5F3N2/c1-2-5-3-6(8(9,10)11)4-13-7(5)12/h1,3-4H,(H2,12,13)
InChIKey
AOXNOOYKQDKKFU-UHFFFAOYSA-N
Compound name
3-ethynyl-5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04776 133.7
[M+Na]+ 209.02970 144.7
[M-H]- 185.03320 130.7
[M+NH4]+ 204.07430 149.5
[M+K]+ 225.00364 140.8
[M+H-H2O]+ 169.03774 119.3
[M+HCOO]- 231.03868 147.4
[M+CH3COO]- 245.05433 191.5
[M+Na-2H]- 207.01515 138.0
[M]+ 186.03993 122.7
[M]- 186.04103 122.7
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.