CID 77128944

2-amino-2-(4-bromo-3-fluorophenyl)acetic acid

Structural Information

Molecular Formula
C8H7BrFNO2
SMILES
C1=CC(=C(C=C1C(C(=O)O)N)F)Br
InChI
InChI=1S/C8H7BrFNO2/c9-5-2-1-4(3-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKey
XISOCCCFBFOIBA-UHFFFAOYSA-N
Compound name
2-amino-2-(4-bromo-3-fluorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.96442 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97170 144.5
[M+Na]+ 269.95364 145.6
[M+NH4]+ 264.99824 147.7
[M+K]+ 285.92758 147.3
[M-H]- 245.95714 143.0
[M+Na-2H]- 267.93909 145.9
[M]+ 246.96387 142.7
[M]- 246.96497 142.7
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.