CID 60094181

668969-65-1

Structural Information

Molecular Formula
C8H6BrFO3
SMILES
C1=CC(=C(C=C1Br)C(C(=O)O)O)F
InChI
InChI=1S/C8H6BrFO3/c9-4-1-2-6(10)5(3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKey
NBFQNWARILQXCW-UHFFFAOYSA-N
Compound name
2-(5-bromo-2-fluorophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.94843 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.95571 144.0
[M+Na]+ 270.93765 145.5
[M+NH4]+ 265.98225 147.0
[M+K]+ 286.91159 147.4
[M-H]- 246.94115 141.5
[M+Na-2H]- 268.92310 145.2
[M]+ 247.94788 142.0
[M]- 247.94898 142.0
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