CID 482699

Chembl151336

Structural Information

Molecular Formula
C14H10O3
SMILES
C1=CC=C2C(=C1)C=C(O2)C3(C=CC(=O)C=C3)O
InChI
InChI=1S/C14H10O3/c15-11-5-7-14(16,8-6-11)13-9-10-3-1-2-4-12(10)17-13/h1-9,16H
InChIKey
RQQOIJGYQDNYRG-UHFFFAOYSA-N
Compound name
4-(1-benzofuran-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

226.06299 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07027 145.6
[M+Na]+ 249.05221 156.5
[M-H]- 225.05571 153.9
[M+NH4]+ 244.09681 166.8
[M+K]+ 265.02615 153.4
[M+H-H2O]+ 209.06025 139.9
[M+HCOO]- 271.06119 169.2
[M+CH3COO]- 285.07684 160.2
[M+Na-2H]- 247.03766 154.2
[M]+ 226.06244 147.9
[M]- 226.06354 147.9
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.