CID 68996

Pyrocatecholphthlein

Structural Information

Molecular Formula
C20H14O6
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C20H14O6/c21-15-7-5-11(9-17(15)23)20(12-6-8-16(22)18(24)10-12)14-4-2-1-3-13(14)19(25)26-20/h1-10,21-24H
InChIKey
QPFLFTVMWJJXKU-UHFFFAOYSA-N
Compound name
3,3-bis(3,4-dihydroxyphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

350.07904 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08632 178.8
[M+Na]+ 373.06826 193.2
[M+NH4]+ 368.11286 186.8
[M+K]+ 389.04220 187.7
[M-H]- 349.07176 184.2
[M+Na-2H]- 371.05371 186.2
[M]+ 350.07849 182.6
[M]- 350.07959 182.6
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

patents stripe