CID 45091388

945840-67-5

Structural Information

Molecular Formula

C₉H₁₁F₂NO

SMILES

C1=CC(=CC(=C1)OC(F)F)CCN

InChI

InChI=1S/C9H11F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h1-3,6,9H,4-5,12H2

InChIKey

AMEAPRSRXCKDEK-UHFFFAOYSA-N

Compound name

2-[3-(difluoromethoxy)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 187.08087 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]+	188.08815	139.1
[M+Na]+	210.07009	148.8
[M+NH4]+	205.11469	146.0
[M+K]+	226.04403	143.1
[M-H]-	186.07359	138.6
[M+Na-2H]-	208.05554	144.2
[M]+	187.08032	140.0
[M]-	187.08142	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe