CID 13604415

1423031-64-4

Structural Information

Molecular Formula

C₉H₁₀ClF₃N₂O

SMILES

C1=C(C=NC(=C1Cl)OCCCN)C(F)(F)F

InChI

InChI=1S/C9H10ClF3N2O/c10-7-4-6(9(11,12)13)5-15-8(7)16-3-1-2-14/h4-5H,1-3,14H2

InChIKey

HCSFLDHQESLDIC-UHFFFAOYSA-N

Compound name

3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 254.04338 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.05066	149.3
[M+Na]+	277.03260	159.0
[M-H]-	253.03610	147.3
[M+NH4]+	272.07720	165.7
[M+K]+	293.00654	154.2
[M+H-H2O]+	237.04064	140.9
[M+HCOO]-	299.04158	163.8
[M+CH3COO]-	313.05723	194.1
[M+Na-2H]-	275.01805	153.8
[M]+	254.04283	148.0
[M]-	254.04393	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe