CID 588651

2,4-difluoromandelic acid

Structural Information

Molecular Formula
C8H6F2O3
SMILES
C1=CC(=C(C=C1F)F)C(C(=O)O)O
InChI
InChI=1S/C8H6F2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKey
RRRQFGNNRJHLNV-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

188.0285 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.03578 138.3
[M+Na]+ 211.01772 147.8
[M+NH4]+ 206.06232 143.8
[M+K]+ 226.99166 144.1
[M-H]- 187.02122 135.4
[M+Na-2H]- 209.00317 141.6
[M]+ 188.02795 138.4
[M]- 188.02905 138.4
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

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