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

1
Patents

216.99023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.997506 139.7
[M+Na]+ 239.979448 150.4
[M-H]- 215.982954 144.2
[M+NH4]+ 235.024053 161.2
[M+K]+ 255.953388 138.9
[M+H-H2O]+ 199.987490 138.6
[M+HCOO]- 261.988431 160.2
[M+CH3COO]- 276.004081 187.4
[M+Na-2H]- 237.964896 145.8
[M]+ 216.98968142 154.6
[M]- 216.99077858 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

patents stripe