CID 504332

Phthalide, 3,3'-bis(2,4,6-tri-hydroxyphenyl)-

Structural Information

Molecular Formula
C20H14O8
SMILES
C1=CC=C2C(=C1)C(OC2=O)C3=C(C=C(C(=C3O)C4=C(C=C(C=C4O)O)O)O)O
InChI
InChI=1S/C20H14O8/c21-8-5-11(22)15(12(23)6-8)16-13(24)7-14(25)17(18(16)26)19-9-3-1-2-4-10(9)20(27)28-19/h1-7,19,21-26H
InChIKey
BGZZGEKATVQIFF-UHFFFAOYSA-N
Compound name
3-[2,4,6-trihydroxy-3-(2,4,6-trihydroxyphenyl)phenyl]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.06888 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07616 184.4
[M+Na]+ 405.05810 193.8
[M-H]- 381.06160 190.3
[M+NH4]+ 400.10270 193.9
[M+K]+ 421.03204 190.1
[M+H-H2O]+ 365.06614 177.8
[M+HCOO]- 427.06708 198.2
[M+CH3COO]- 441.08273 210.5
[M+Na-2H]- 403.04355 183.8
[M]+ 382.06833 185.7
[M]- 382.06943 185.7
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.