CID 135411108

Chembl390819

Structural Information

Molecular Formula
C15H12FNO4
SMILES
C1=CC(=CC=C1COC2=CN=C(C=C2)/C=C(/C(=O)O)\O)F
InChI
InChI=1S/C15H12FNO4/c16-11-3-1-10(2-4-11)9-21-13-6-5-12(17-8-13)7-14(18)15(19)20/h1-8,18H,9H2,(H,19,20)/b14-7-
InChIKey
WWVLJUFRWRSCOL-AUWJEWJLSA-N
Compound name
(Z)-3-[5-[(4-fluorophenyl)methoxy]pyridin-2-yl]-2-hydroxyprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.07504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08232 162.8
[M+Na]+ 312.06426 169.7
[M-H]- 288.06776 164.3
[M+NH4]+ 307.10886 175.1
[M+K]+ 328.03820 165.4
[M+H-H2O]+ 272.07230 153.8
[M+HCOO]- 334.07324 180.7
[M+CH3COO]- 348.08889 195.4
[M+Na-2H]- 310.04971 165.1
[M]+ 289.07449 161.7
[M]- 289.07559 161.7
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.