CID 493165

Taiwanin e acetate

Structural Information

Molecular Formula
C22H14O8
SMILES
CC(=O)OC1=C2COC(=O)C2=C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6
InChI
InChI=1S/C22H14O8/c1-10(23)30-21-13-6-18-17(28-9-29-18)5-12(13)19(20-14(21)7-25-22(20)24)11-2-3-15-16(4-11)27-8-26-15/h2-6H,7-9H2,1H3
InChIKey
VWFIVWZNQGIMDV-UHFFFAOYSA-N
Compound name
[9-(1,3-benzodioxol-5-yl)-8-oxo-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.06888 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.07616 185.1
[M+Na]+ 429.05810 194.9
[M-H]- 405.06160 199.7
[M+NH4]+ 424.10270 198.2
[M+K]+ 445.03204 197.4
[M+H-H2O]+ 389.06614 184.0
[M+HCOO]- 451.06708 199.1
[M+CH3COO]- 465.08273 197.4
[M+Na-2H]- 427.04355 186.1
[M]+ 406.06833 194.8
[M]- 406.06943 194.8
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.