CID 98068

4-fluoromandelic acid

Structural Information

Molecular Formula
C8H7FO3
SMILES
C1=CC(=CC=C1C(C(=O)O)O)F
InChI
InChI=1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)
InChIKey
RWCMOQXHIDWDDJ-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

594
Patents

170.03792 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 133.4
[M+Na]+ 193.02714 143.8
[M+NH4]+ 188.07174 140.0
[M+K]+ 209.00108 139.9
[M-H]- 169.03064 132.1
[M+Na-2H]- 191.01259 137.9
[M]+ 170.03737 134.1
[M]- 170.03847 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe