CID 22660967

1909316-10-4

Structural Information

Molecular Formula

C₉H₉F₂NO₂

SMILES

CNCC1=CC2=C(C=C1)OC(O2)(F)F

InChI

InChI=1S/C9H9F2NO2/c1-12-5-6-2-3-7-8(4-6)14-9(10,11)13-7/h2-4,12H,5H2,1H3

InChIKey

BMEVBYJXKNWWJF-UHFFFAOYSA-N

Compound name

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 201.06013 Da
Monoisotopic Mass: 1.9
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]+	202.06741	141.4
[M+Na]+	224.04935	151.6
[M+NH4]+	219.09395	150.1
[M+K]+	240.02329	146.2
[M-H]-	200.05285	143.3
[M+Na-2H]-	222.03480	145.8
[M]+	201.05958	143.3
[M]-	201.06068	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe