CID 83384135

2126161-33-7

Structural Information

Molecular Formula

C₈H₈BrF₂N

SMILES

C1=CC(=C(C(=C1F)CCN)F)Br

InChI

InChI=1S/C8H8BrF2N/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2H,3-4,12H2

InChIKey

NGSXXLGUCXZORG-UHFFFAOYSA-N

Compound name

2-(3-bromo-2,6-difluorophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.98082 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]+	235.98810	146.8
[M+Na]+	257.97004	149.2
[M+NH4]+	253.01464	150.9
[M+K]+	273.94398	148.3
[M-H]-	233.97354	145.8
[M+Na-2H]-	255.95549	149.0
[M]+	234.98027	145.6
[M]-	234.98137	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.