CID 10945360

Chembl307116

Structural Information

Molecular Formula
C16H10O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C\3/C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C16H10O4/c17-16-12-4-2-1-3-11(12)14(20-16)7-10-5-6-13-15(8-10)19-9-18-13/h1-8H,9H2/b14-7-
InChIKey
VYUQITGMYUETQM-AUWJEWJLSA-N
Compound name
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

266.05792 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 155.2
[M+Na]+ 289.04714 165.2
[M-H]- 265.05064 166.4
[M+NH4]+ 284.09174 173.4
[M+K]+ 305.02108 164.2
[M+H-H2O]+ 249.05518 151.0
[M+HCOO]- 311.05612 175.6
[M+CH3COO]- 325.07177 169.3
[M+Na-2H]- 287.03259 160.6
[M]+ 266.05737 158.7
[M]- 266.05847 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.