CID 135541342

Chembl229763

Structural Information

Molecular Formula
C14H10FNO4
SMILES
C1=CC(=CC=C1OC2=CN=C(C=C2)/C=C(/C(=O)O)\O)F
InChI
InChI=1S/C14H10FNO4/c15-9-1-4-11(5-2-9)20-12-6-3-10(16-8-12)7-13(17)14(18)19/h1-8,17H,(H,18,19)/b13-7-
InChIKey
LQEDRFZJSDQXRA-QPEQYQDCSA-N
Compound name
(Z)-3-[5-(4-fluorophenoxy)pyridin-2-yl]-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

275.0594 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06668 158.2
[M+Na]+ 298.04862 165.6
[M-H]- 274.05212 159.9
[M+NH4]+ 293.09322 171.1
[M+K]+ 314.02256 161.5
[M+H-H2O]+ 258.05666 149.4
[M+HCOO]- 320.05760 176.4
[M+CH3COO]- 334.07325 192.4
[M+Na-2H]- 296.03407 161.1
[M]+ 275.05885 156.8
[M]- 275.05995 156.8
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.