CID 167727506

2,2-dibromo-2-fluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula

C₂H₄Br₂FN

SMILES

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

InChI

InChI=1S/C2H4Br2FN/c3-2(4,5)1-6/h1,6H2

InChIKey

BBHLBBNBVJLOJO-UHFFFAOYSA-N

Compound name

2,2-dibromo-2-fluoroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.86945 Da
Monoisotopic Mass: 1.2
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]+	219.87673	129.6
[M+Na]+	241.85867	140.6
[M-H]-	217.86217	132.5
[M+NH4]+	236.90327	150.5
[M+K]+	257.83261	124.7
[M+H-H2O]+	201.86671	136.6
[M+HCOO]-	263.86765	144.5
[M+CH3COO]-	277.88330	193.1
[M+Na-2H]-	239.84412	137.6
[M]+	218.86890	159.8
[M]-	218.87000	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.