CID 4444803

144759-10-4

Structural Information

Molecular Formula

C₉H₁₁F₂NO

SMILES

CC(C1=CC=CC=C1OC(F)F)N

InChI

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

InChIKey

XZXJJKFVKBSRME-UHFFFAOYSA-N

Compound name

1-[2-(difluoromethoxy)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 187.08087 Da
Monoisotopic Mass: 2.1
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	137.6
[M+Na]+	210.070088	144.7
[M-H]-	186.073594	138.2
[M+NH4]+	205.114693	156.8
[M+K]+	226.044028	142.9
[M+H-H2O]+	170.078130	129.9
[M+HCOO]-	232.079071	158.7
[M+CH3COO]-	246.094721	185.8
[M+Na-2H]-	208.055536	140.6
[M]+	187.08032142	134.0
[M]-	187.08141858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe