CID 89387237

2-ethynyl-6-(trifluoromethyl)pyridin-3-amine

Structural Information

Molecular Formula
C8H5F3N2
SMILES
C#CC1=C(C=CC(=N1)C(F)(F)F)N
InChI
InChI=1S/C8H5F3N2/c1-2-6-5(12)3-4-7(13-6)8(9,10)11/h1,3-4H,12H2
InChIKey
QBJVZBHRAPLDLI-UHFFFAOYSA-N
Compound name
2-ethynyl-6-(trifluoromethyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

186.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.047756 133.7
[M+Na]+ 209.029698 144.7
[M-H]- 185.033204 130.7
[M+NH4]+ 204.074303 149.5
[M+K]+ 225.003638 140.8
[M+H-H2O]+ 169.037740 119.3
[M+HCOO]- 231.038681 147.4
[M+CH3COO]- 245.054331 191.5
[M+Na-2H]- 207.015146 138.0
[M]+ 186.03993142 122.7
[M]- 186.04102858 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

patents stripe