CID 683502

3-(1,3-benzodioxol-5-yl)chromen-2-one

Structural Information

Molecular Formula
C16H10O4
SMILES
C1OC2=C(O1)C=C(C=C2)C3=CC4=CC=CC=C4OC3=O
InChI
InChI=1S/C16H10O4/c17-16-12(7-11-3-1-2-4-13(11)20-16)10-5-6-14-15(8-10)19-9-18-14/h1-8H,9H2
InChIKey
OXFYXWOFIFKCJM-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

266.05792 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 154.2
[M+Na]+ 289.04714 165.0
[M-H]- 265.05064 165.6
[M+NH4]+ 284.09174 170.6
[M+K]+ 305.02108 164.5
[M+H-H2O]+ 249.05518 147.9
[M+HCOO]- 311.05612 174.9
[M+CH3COO]- 325.07177 168.5
[M+Na-2H]- 287.03259 163.1
[M]+ 266.05737 158.9
[M]- 266.05847 158.9
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

patents stripe