CID 66631842

2-amino-2-(5-bromo-2-fluorophenyl)propanoic acid

Structural Information

Molecular Formula
C9H9BrFNO2
SMILES
CC(C1=C(C=CC(=C1)Br)F)(C(=O)O)N
InChI
InChI=1S/C9H9BrFNO2/c1-9(12,8(13)14)6-4-5(10)2-3-7(6)11/h2-4H,12H2,1H3,(H,13,14)
InChIKey
VCZKYBUARMRRAA-UHFFFAOYSA-N
Compound name
2-amino-2-(5-bromo-2-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

260.98007 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.98735 149.8
[M+Na]+ 283.96929 150.7
[M+NH4]+ 279.01389 152.8
[M+K]+ 299.94323 152.5
[M-H]- 259.97279 147.9
[M+Na-2H]- 281.95474 151.1
[M]+ 260.97952 148.0
[M]- 260.98062 148.0
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