CID 11481097

870483-68-4

Structural Information

Molecular Formula

C₉H₉F₃N₂

SMILES

C1CNCC2=C1N=CC(=C2)C(F)(F)F

InChI

InChI=1S/C9H9F3N2/c10-9(11,12)7-3-6-4-13-2-1-8(6)14-5-7/h3,5,13H,1-2,4H2

InChIKey

YVKYZZSGAOUFGK-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 166
Patents: 202.07178 Da
Monoisotopic Mass: 1.2
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]+	203.07906	143.0
[M+Na]+	225.06100	152.3
[M+NH4]+	220.10560	149.0
[M+K]+	241.03494	146.8
[M-H]-	201.06450	139.6
[M+Na-2H]-	223.04645	146.8
[M]+	202.07123	143.0
[M]-	202.07233	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe