CID 26985655

266359-12-0

Structural Information

Molecular Formula

SMILES

C1CNCC=C1C(F)(F)F

InChI

InChI=1S/C6H8F3N/c7-6(8,9)5-1-3-10-4-2-5/h1,10H,2-4H2

InChIKey

PDOWUEWDTGKXGZ-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)-1,2,3,6-tetrahydropyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 151.06088 Da
Monoisotopic Mass: 0.9
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]+	152.06816	134.0
[M+Na]+	174.05010	142.1
[M+NH4]+	169.09470	140.1
[M+K]+	190.02404	137.1
[M-H]-	150.05360	130.4
[M+Na-2H]-	172.03555	137.7
[M]+	151.06033	133.7
[M]-	151.06143	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe