CID 50989379

2-(trifluoromethyl)azepane hydrochloride

Structural Information

Molecular Formula

C₇H₁₂F₃N

SMILES

C1CCC(NCC1)C(F)(F)F

InChI

InChI=1S/C7H12F3N/c8-7(9,10)6-4-2-1-3-5-11-6/h6,11H,1-5H2

InChIKey

LUTXSAOOFHCLRO-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)azepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 167.09218 Da
Monoisotopic Mass: 2.2
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]+	168.09946	131.3
[M+Na]+	190.08140	136.9
[M+NH4]+	185.12600	136.6
[M+K]+	206.05534	134.1
[M-H]-	166.08490	127.7
[M+Na-2H]-	188.06685	134.5
[M]+	167.09163	130.7
[M]-	167.09273	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe