CID 6447040

4-((3-oxo-2(3h)-benzofuranylidene)methyl)benzoic acid

Structural Information

Molecular Formula
C16H10O4
SMILES
C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/O2
InChI
InChI=1S/C16H10O4/c17-15-12-3-1-2-4-13(12)20-14(15)9-10-5-7-11(8-6-10)16(18)19/h1-9H,(H,18,19)/b14-9+
InChIKey
XNNJPMYNORHKRV-NTEUORMPSA-N
Compound name
4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.05792 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 156.8
[M+Na]+ 289.04714 165.7
[M-H]- 265.05064 164.4
[M+NH4]+ 284.09174 174.1
[M+K]+ 305.02108 162.2
[M+H-H2O]+ 249.05518 150.7
[M+HCOO]- 311.05612 177.7
[M+CH3COO]- 325.07177 193.2
[M+Na-2H]- 287.03259 160.5
[M]+ 266.05737 157.7
[M]- 266.05847 157.7
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.