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 152.2
[M+Na]+ 277.05592 161.4
[M-H]- 253.05942 153.7
[M+NH4]+ 272.10052 167.3
[M+K]+ 293.02986 156.8
[M+H-H2O]+ 237.06396 141.8
[M+HCOO]- 299.06490 171.7
[M+CH3COO]- 313.08055 195.1
[M+Na-2H]- 275.04137 158.2
[M]+ 254.06615 147.6
[M]- 254.06725 147.6
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

No patent data available for this compound.