CID 132525

111843-78-8

Structural Information

Molecular Formula
C21H10Cl2O7
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)OC23C4=CC(=C(C=C4OC5=CC(=C(C=C35)Cl)O)O)Cl
InChI
InChI=1S/C21H10Cl2O7/c22-13-4-11-17(6-15(13)24)29-18-7-16(25)14(23)5-12(18)21(11)10-2-1-8(19(26)27)3-9(10)20(28)30-21/h1-7,24-25H,(H,26,27)
InChIKey
JGZVUTYDEVUNMK-UHFFFAOYSA-N
Compound name
2',7'-dichloro-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

58
References

3105
Patents

443.98035 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.98763 193.2
[M+Na]+ 466.96957 209.4
[M+NH4]+ 462.01417 201.9
[M+K]+ 482.94351 203.0
[M-H]- 442.97307 198.3
[M+Na-2H]- 464.95502 196.2
[M]+ 443.97980 197.8
[M]- 443.98090 197.8
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