CID 4764

Phenolphthalein

Structural Information

Molecular Formula
C20H14O4
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
InChIKey
KJFMBFZCATUALV-UHFFFAOYSA-N
Compound name
3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

708
References

93402
Patents

318.0892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09648 172.2
[M+Na]+ 341.07842 181.8
[M-H]- 317.08192 182.1
[M+NH4]+ 336.12302 188.5
[M+K]+ 357.05236 177.2
[M+H-H2O]+ 301.08646 164.8
[M+HCOO]- 363.08740 192.0
[M+CH3COO]- 377.10305 184.3
[M+Na-2H]- 339.06387 176.9
[M]+ 318.08865 172.9
[M]- 318.08975 172.9
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.