CID 6447046

2-(4-((3-oxo-2(3h)-benzofuranylidene)methyl)phenoxy)propanoic acid

Structural Information

Molecular Formula
C18H14O5
SMILES
CC(C(=O)O)OC1=CC=C(C=C1)/C=C/2\C(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C18H14O5/c1-11(18(20)21)22-13-8-6-12(7-9-13)10-16-17(19)14-4-2-3-5-15(14)23-16/h2-11H,1H3,(H,20,21)/b16-10+
InChIKey
WLQHIIVGTABBEE-MHWRWJLKSA-N
Compound name
2-[4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 169.3
[M+Na]+ 333.07336 181.4
[M+NH4]+ 328.11796 175.8
[M+K]+ 349.04730 178.0
[M-H]- 309.07686 172.6
[M+Na-2H]- 331.05881 173.6
[M]+ 310.08359 171.7
[M]- 310.08469 171.7
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.