CID 3857668

296276-42-1

Structural Information

Molecular Formula

C₉H₁₁F₂NO

SMILES

CNCC1=CC=C(C=C1)OC(F)F

InChI

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

InChIKey

OZLPONSQVQLJSI-UHFFFAOYSA-N

Compound name

1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
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	139.2
[M+Na]+	210.07009	149.2
[M+NH4]+	205.11469	146.3
[M+K]+	226.04403	143.2
[M-H]-	186.07359	138.9
[M+Na-2H]-	208.05554	144.8
[M]+	187.08032	140.2
[M]-	187.08142	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe