CID 16794996

{6-[2-(trifluoromethyl)phenoxy]pyridin-3-yl}methanamine

Structural Information

Molecular Formula
C13H11F3N2O
SMILES
C1=CC=C(C(=C1)C(F)(F)F)OC2=NC=C(C=C2)CN
InChI
InChI=1S/C13H11F3N2O/c14-13(15,16)10-3-1-2-4-11(10)19-12-6-5-9(7-17)8-18-12/h1-6,8H,7,17H2
InChIKey
ZJPIHMYRZBVZCV-UHFFFAOYSA-N
Compound name
[6-[2-(trifluoromethyl)phenoxy]pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08234 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08962 159.1
[M+Na]+ 291.07156 169.5
[M+NH4]+ 286.11616 164.5
[M+K]+ 307.04550 163.5
[M-H]- 267.07506 158.3
[M+Na-2H]- 289.05701 165.6
[M]+ 268.08179 160.1
[M]- 268.08289 160.1
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.