CID 83383932

1-(2-bromo-6-fluorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9BrFN
SMILES
CC(C1=C(C=CC=C1Br)F)N
InChI
InChI=1S/C8H9BrFN/c1-5(11)8-6(9)3-2-4-7(8)10/h2-5H,11H2,1H3
InChIKey
SNIBBOIUVLCOJX-UHFFFAOYSA-N
Compound name
1-(2-bromo-6-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

216.99023 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.99751 139.3
[M+Na]+ 239.97945 142.0
[M+NH4]+ 235.02405 144.2
[M+K]+ 255.95339 141.9
[M-H]- 215.98295 139.6
[M+Na-2H]- 237.96490 142.5
[M]+ 216.98968 138.5
[M]- 216.99078 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe