CID 25203763

(2,6-difluoro-4-hydroxyphenyl)pyruvate

Structural Information

Molecular Formula
C9H6F2O4
SMILES
C1=C(C=C(C(=C1F)CC(=O)C(=O)O)F)O
InChI
InChI=1S/C9H6F2O4/c10-6-1-4(12)2-7(11)5(6)3-8(13)9(14)15/h1-2,12H,3H2,(H,14,15)
InChIKey
STRRCIVAFFJFDV-UHFFFAOYSA-N
Compound name
3-(2,6-difluoro-4-hydroxyphenyl)-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02342 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.03070 145.2
[M+Na]+ 239.01264 154.4
[M+NH4]+ 234.05724 149.7
[M+K]+ 254.98658 151.1
[M-H]- 215.01614 141.5
[M+Na-2H]- 236.99809 147.4
[M]+ 216.02287 144.9
[M]- 216.02397 144.9
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

No patent data available for this compound.