CID 50993080

915132-93-3

Structural Information

Molecular Formula

C₁₄H₂₁F₂NO

SMILES

C1=CC=C(C=C1)C(COCCCCCCN)(F)F

InChI

InChI=1S/C14H21F2NO/c15-14(16,13-8-4-3-5-9-13)12-18-11-7-2-1-6-10-17/h3-5,8-9H,1-2,6-7,10-12,17H2

InChIKey

ZAVGLNVUWHAKNQ-UHFFFAOYSA-N

Compound name

6-(2,2-difluoro-2-phenylethoxy)hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 257.15912 Da
Monoisotopic Mass: 2.7
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]+	258.16640	160.3
[M+Na]+	280.14834	165.2
[M-H]-	256.15184	159.7
[M+NH4]+	275.19294	176.5
[M+K]+	296.12228	161.6
[M+H-H2O]+	240.15638	151.7
[M+HCOO]-	302.15732	180.1
[M+CH3COO]-	316.17297	198.5
[M+Na-2H]-	278.13379	164.4
[M]+	257.15857	158.8
[M]-	257.15967	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe