CID 6447042

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

Structural Information

Molecular Formula
C17H12O5
SMILES
C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC=C(C=C3)OCC(=O)O)/O2
InChI
InChI=1S/C17H12O5/c18-16(19)10-21-12-7-5-11(6-8-12)9-15-17(20)13-3-1-2-4-14(13)22-15/h1-9H,10H2,(H,18,19)/b15-9+
InChIKey
MNAUWUREZLVTHW-OQLLNIDSSA-N
Compound name
2-[4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.06848 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.07576 165.3
[M+Na]+ 319.05770 178.0
[M+NH4]+ 314.10230 172.1
[M+K]+ 335.03164 174.0
[M-H]- 295.06120 168.9
[M+Na-2H]- 317.04315 170.2
[M]+ 296.06793 167.9
[M]- 296.06903 167.9
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.