CID 43123437

2825006-74-2

Structural Information

Molecular Formula
C8H9BrFNO
SMILES
C1=CC(=C(C=C1Br)F)OCCN
InChI
InChI=1S/C8H9BrFNO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,3-4,11H2
InChIKey
UOJJAZDJPNQYHB-UHFFFAOYSA-N
Compound name
2-(4-bromo-2-fluorophenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98515 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99243 141.1
[M+Na]+ 255.97437 152.8
[M-H]- 231.97787 145.9
[M+NH4]+ 251.01897 162.3
[M+K]+ 271.94831 141.4
[M+H-H2O]+ 215.98241 139.9
[M+HCOO]- 277.98335 162.8
[M+CH3COO]- 291.99900 189.5
[M+Na-2H]- 253.95982 147.8
[M]+ 232.98460 158.4
[M]- 232.98570 158.4
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.