CID 122297

136832-63-8

Structural Information

Molecular Formula
C25H17ClO7
SMILES
CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)CCl)C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C
InChI
InChI=1S/C25H17ClO7/c1-13(27)30-16-4-7-20-22(10-16)32-23-11-17(31-14(2)28)5-8-21(23)25(20)19-6-3-15(12-26)9-18(19)24(29)33-25/h3-11H,12H2,1-2H3
InChIKey
IPJDHSYCSQAODE-UHFFFAOYSA-N
Compound name
[6'-acetyloxy-5-(chloromethyl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

256
References

7623
Patents

464.06628 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.07356 203.3
[M+Na]+ 487.05550 218.8
[M+NH4]+ 482.10010 212.0
[M+K]+ 503.02944 211.8
[M-H]- 463.05900 209.3
[M+Na-2H]- 485.04095 207.1
[M]+ 464.06573 207.8
[M]- 464.06683 207.8
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