CID 28743409

2260917-73-3

Structural Information

Molecular Formula
C8H9BrFNO
SMILES
C1=CC(=C(C=C1[C@@H](CN)O)Br)F
InChI
InChI=1S/C8H9BrFNO/c9-6-3-5(8(12)4-11)1-2-7(6)10/h1-3,8,12H,4,11H2/t8-/m1/s1
InChIKey
UJBTVWSRZMUEEX-MRVPVSSYSA-N
Compound name
(1S)-2-amino-1-(3-bromo-4-fluorophenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98515 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.99243 142.8
[M+Na]+ 255.97437 153.8
[M-H]- 231.97787 146.3
[M+NH4]+ 251.01897 163.2
[M+K]+ 271.94831 141.8
[M+H-H2O]+ 215.98241 141.7
[M+HCOO]- 277.98335 162.1
[M+CH3COO]- 291.99900 187.9
[M+Na-2H]- 253.95982 147.6
[M]+ 232.98460 157.6
[M]- 232.98570 157.6
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.