CID 72218215

2408966-09-4

Structural Information

Molecular Formula

C₉H₁₁F₂NO

SMILES

COC1=CC=CC(=C1)C(CN)(F)F

InChI

InChI=1S/C9H11F2NO/c1-13-8-4-2-3-7(5-8)9(10,11)6-12/h2-5H,6,12H2,1H3

InChIKey

FANXSHUKJALBIL-UHFFFAOYSA-N

Compound name

2,2-difluoro-2-(3-methoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 187.08087 Da
Monoisotopic Mass: 1.5
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]+	188.08815	139.5
[M+Na]+	210.07009	149.3
[M+NH4]+	205.11469	146.4
[M+K]+	226.04403	143.9
[M-H]-	186.07359	138.6
[M+Na-2H]-	208.05554	144.9
[M]+	187.08032	140.4
[M]-	187.08142	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe