CID 84027565

794472-19-8

Structural Information

Molecular Formula
C8H9BrFN
SMILES
C1=CC(=CC=C1C(CN)F)Br
InChI
InChI=1S/C8H9BrFN/c9-7-3-1-6(2-4-7)8(10)5-11/h1-4,8H,5,11H2
InChIKey
BANSITREVGYIDM-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-fluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.99023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.99751 139.6
[M+Na]+ 239.97945 142.0
[M+NH4]+ 235.02405 144.5
[M+K]+ 255.95339 141.7
[M-H]- 215.98295 139.8
[M+Na-2H]- 237.96490 143.0
[M]+ 216.98968 138.7
[M]- 216.99078 138.7
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

No patent data available for this compound.