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 138.2
[M+Na]+ 239.01264 147.5
[M-H]- 215.01614 137.4
[M+NH4]+ 234.05724 155.6
[M+K]+ 254.98658 144.9
[M+H-H2O]+ 199.02068 131.5
[M+HCOO]- 261.02162 156.9
[M+CH3COO]- 275.03727 183.5
[M+Na-2H]- 236.99809 139.8
[M]+ 216.02287 136.3
[M]- 216.02397 136.3
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.