CID 18509457

2-(3-bromo-4-fluorophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H9BrFN
SMILES
C1=CC(=C(C=C1CCN)Br)F
InChI
InChI=1S/C8H9BrFN/c9-7-5-6(3-4-11)1-2-8(7)10/h1-2,5H,3-4,11H2
InChIKey
AOOQMNQPSNSYBJ-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
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 140.3
[M+Na]+ 239.97945 143.3
[M+NH4]+ 235.02405 145.3
[M+K]+ 255.95339 142.4
[M-H]- 215.98295 140.8
[M+Na-2H]- 237.96490 143.8
[M]+ 216.98968 139.6
[M]- 216.99078 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe