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 139.7
[M+Na]+ 239.97945 150.4
[M-H]- 215.98295 144.2
[M+NH4]+ 235.02405 161.2
[M+K]+ 255.95339 138.9
[M+H-H2O]+ 199.98749 138.6
[M+HCOO]- 261.98843 160.2
[M+CH3COO]- 276.00408 187.4
[M+Na-2H]- 237.96490 145.8
[M]+ 216.98968 154.6
[M]- 216.99078 154.6
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

No patent data available for this compound.