CID 2782242

1211120-17-0

Structural Information

Molecular Formula

C₂H₄BrF₂N

SMILES

C(C(F)(F)Br)N

InChI

InChI=1S/C2H4BrF2N/c3-2(4,5)1-6/h1,6H2

InChIKey

INKAHVFOZPBNHQ-UHFFFAOYSA-N

Compound name

2-bromo-2,2-difluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 158.94952 Da
Monoisotopic Mass: 0.8
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]+	159.95680	124.1
[M+Na]+	181.93874	135.9
[M-H]-	157.94224	124.7
[M+NH4]+	176.98334	147.7
[M+K]+	197.91268	125.5
[M+H-H2O]+	141.94678	123.5
[M+HCOO]-	203.94772	143.3
[M+CH3COO]-	217.96337	176.0
[M+Na-2H]-	179.92419	132.3
[M]+	158.94897	137.5
[M]-	158.95007	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe