CID 2798549

6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine

Structural Information

Molecular Formula
C12H9F3N2O
SMILES
C1=CC(=CC=C1C(F)(F)F)OC2=NC=C(C=C2)N
InChI
InChI=1S/C12H9F3N2O/c13-12(14,15)8-1-4-10(5-2-8)18-11-6-3-9(16)7-17-11/h1-7H,16H2
InChIKey
ISCOPRCGERKPKL-UHFFFAOYSA-N
Compound name
6-[4-(trifluoromethyl)phenoxy]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

254.0667 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.073976 152.2
[M+Na]+ 277.055918 161.4
[M-H]- 253.059424 153.7
[M+NH4]+ 272.100523 167.3
[M+K]+ 293.029858 156.8
[M+H-H2O]+ 237.063960 141.8
[M+HCOO]- 299.064901 171.7
[M+CH3COO]- 313.080551 195.1
[M+Na-2H]- 275.041366 158.2
[M]+ 254.06615142 147.6
[M]- 254.06724858 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

literature stripe

Patent stripe

patents stripe