CID 2783169

2-fluoro-dl-mandelic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

170.03792 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.04520 131.1
[M+Na]+ 193.02714 138.7
[M-H]- 169.03064 131.1
[M+NH4]+ 188.07174 150.0
[M+K]+ 209.00108 136.7
[M+H-H2O]+ 153.03518 125.2
[M+HCOO]- 215.03612 150.8
[M+CH3COO]- 229.05177 173.9
[M+Na-2H]- 191.01259 135.1
[M]+ 170.03737 128.4
[M]- 170.03847 128.4
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