CID 2756981

2-(4-bromo-2-fluorophenyl)-2-hydroxyacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

247.94843 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.955706 142.8
[M+Na]+ 270.937648 154.0
[M-H]- 246.941154 145.6
[M+NH4]+ 265.982253 162.3
[M+K]+ 286.911588 142.8
[M+H-H2O]+ 230.945690 142.3
[M+HCOO]- 292.946631 159.9
[M+CH3COO]- 306.962281 185.5
[M+Na-2H]- 268.923096 146.9
[M]+ 247.94788142 159.0
[M]- 247.94897858 159.0
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