CID 28875329

4-{[6-(trifluoromethyl)pyridin-2-yl]oxy}aniline hydrochloride

Structural Information

Molecular Formula
C12H9F3N2O
SMILES
C1=CC(=NC(=C1)OC2=CC=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C12H9F3N2O/c13-12(14,15)10-2-1-3-11(17-10)18-9-6-4-8(16)5-7-9/h1-7H,16H2
InChIKey
YNPMQPSYJQNRCD-UHFFFAOYSA-N
Compound name
4-[6-(trifluoromethyl)pyridin-2-yl]oxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07398 154.8
[M+Na]+ 277.05592 165.4
[M+NH4]+ 272.10052 160.4
[M+K]+ 293.02986 159.7
[M-H]- 253.05942 154.1
[M+Na-2H]- 275.04137 161.6
[M]+ 254.06615 155.9
[M]- 254.06725 155.9
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.