CID 54689366

Chembl246269

Structural Information

Molecular Formula
C11H10FNO4
SMILES
C1=CC(=CC=C1CNC(=O)/C=C(/C(=O)O)\O)F
InChI
InChI=1S/C11H10FNO4/c12-8-3-1-7(2-4-8)6-13-10(15)5-9(14)11(16)17/h1-5,14H,6H2,(H,13,15)(H,16,17)/b9-5-
InChIKey
LEMZGUWHBLUDOZ-UITAMQMPSA-N
Compound name
(Z)-4-[(4-fluorophenyl)methylamino]-2-hydroxy-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.05939 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06667 149.9
[M+Na]+ 262.04861 155.7
[M-H]- 238.05211 149.4
[M+NH4]+ 257.09321 165.4
[M+K]+ 278.02255 152.9
[M+H-H2O]+ 222.05665 142.9
[M+HCOO]- 284.05759 169.2
[M+CH3COO]- 298.07324 188.2
[M+Na-2H]- 260.03406 151.3
[M]+ 239.05884 146.8
[M]- 239.05994 146.8
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

No patent data available for this compound.