CID 96614

Pyruvic acid, 3-(p-(bis-(2-fluoroethyl)amino)phenyl)-

Structural Information

Molecular Formula
C13H15F2NO3
SMILES
C1=CC(=CC=C1CC(=O)C(=O)O)N(CCF)CCF
InChI
InChI=1S/C13H15F2NO3/c14-5-7-16(8-6-15)11-3-1-10(2-4-11)9-12(17)13(18)19/h1-4H,5-9H2,(H,18,19)
InChIKey
FKGIXUVBZGIBIJ-UHFFFAOYSA-N
Compound name
3-[4-[bis(2-fluoroethyl)amino]phenyl]-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

271.102 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10928 161.5
[M+Na]+ 294.09122 169.1
[M+NH4]+ 289.13582 166.0
[M+K]+ 310.06516 164.7
[M-H]- 270.09472 159.1
[M+Na-2H]- 292.07667 164.1
[M]+ 271.10145 161.3
[M]- 271.10255 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.