CID 16102888

845829-91-6

Structural Information

Molecular Formula
C8H9BrFN
SMILES
C[C@H](C1=C(C=C(C=C1)Br)F)N
InChI
InChI=1S/C8H9BrFN/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5H,11H2,1H3/t5-/m1/s1
InChIKey
BRPFKIPSXUHGSH-RXMQYKEDSA-N
Compound name
(1R)-1-(4-bromo-2-fluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
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

No literature data available for this compound.

Patent stripe

patents stripe