CID 3059738

77143-67-0

Structural Information

Molecular Formula
C16H12O4
SMILES
C1=CC=C(C=C1)C2C3=C(C=CC(=C3)CC(=O)O)OC2=O
InChI
InChI=1S/C16H12O4/c17-14(18)9-10-6-7-13-12(8-10)15(16(19)20-13)11-4-2-1-3-5-11/h1-8,15H,9H2,(H,17,18)
InChIKey
WOFXIHMHNYXRSI-UHFFFAOYSA-N
Compound name
2-(2-oxo-3-phenyl-3H-1-benzofuran-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.07355 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 157.7
[M+Na]+ 291.06277 166.2
[M-H]- 267.06627 165.2
[M+NH4]+ 286.10737 174.9
[M+K]+ 307.03671 163.3
[M+H-H2O]+ 251.07081 151.4
[M+HCOO]- 313.07175 178.4
[M+CH3COO]- 327.08740 194.5
[M+Na-2H]- 289.04822 161.4
[M]+ 268.07300 159.3
[M]- 268.07410 159.3
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

patents stripe