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: 28
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]+	188.088146	137.1
[M+Na]+	210.070088	144.4
[M-H]-	186.073594	137.6
[M+NH4]+	205.114693	156.3
[M+K]+	226.044028	142.2
[M+H-H2O]+	170.078130	129.3
[M+HCOO]-	232.079071	159.2
[M+CH3COO]-	246.094721	184.9
[M+Na-2H]-	208.055536	141.4
[M]+	187.08032142	134.1
[M]-	187.08141858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe