CID 23147715

1502098-50-1

Structural Information

Molecular Formula

C₉H₁₁F₂NO

SMILES

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

InChI

InChI=1S/C9H11F2NO/c1-12-5-6-3-7(10)9(13-2)8(11)4-6/h3-4,12H,5H2,1-2H3

InChIKey

FFABGIZKMALQLN-UHFFFAOYSA-N

Compound name

1-(3,5-difluoro-4-methoxyphenyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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	135.4
[M+Na]+	210.07009	144.8
[M-H]-	186.07359	137.2
[M+NH4]+	205.11469	155.6
[M+K]+	226.04403	142.6
[M+H-H2O]+	170.07813	128.0
[M+HCOO]-	232.07907	159.1
[M+CH3COO]-	246.09472	187.1
[M+Na-2H]-	208.05554	140.6
[M]+	187.08032	134.8
[M]-	187.08142	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe