CID 65047

596-09-8

Structural Information

Molecular Formula
C24H16O7
SMILES
CC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3
InChIKey
CHADEQDQBURGHL-UHFFFAOYSA-N
Compound name
(6'-acetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

774
References

9085
Patents

416.0896 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.096876 194.3
[M+Na]+ 439.078818 203.8
[M-H]- 415.082324 204.6
[M+NH4]+ 434.123423 208.6
[M+K]+ 455.052758 202.8
[M+H-H2O]+ 399.086860 186.2
[M+HCOO]- 461.087801 209.5
[M+CH3COO]- 475.103451 205.2
[M+Na-2H]- 437.064266 198.6
[M]+ 416.08905142 201.4
[M]- 416.09014858 201.4
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