CID 256732

2726-50-3

Structural Information

Molecular Formula
C16H12O4
SMILES
CC(=O)C1=C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H12O4/c1-9(17)15-13-7-6-12(19)8-14(13)20-16(15)10-2-4-11(18)5-3-10/h2-8,18-19H,1H3
InChIKey
PMGWXIYBUNWUGY-UHFFFAOYSA-N
Compound name
1-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.07355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 157.2
[M+Na]+ 291.06277 167.9
[M-H]- 267.06627 164.6
[M+NH4]+ 286.10737 174.3
[M+K]+ 307.03671 164.6
[M+H-H2O]+ 251.07081 151.3
[M+HCOO]- 313.07175 179.0
[M+CH3COO]- 327.08740 193.6
[M+Na-2H]- 289.04822 161.7
[M]+ 268.07300 161.1
[M]- 268.07410 161.1
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.