CID 68995

O-cresolphthalein

Structural Information

Molecular Formula
C22H18O4
SMILES
CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4)O)C)O
InChI
InChI=1S/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H3
InChIKey
CPBJMKMKNCRKQB-UHFFFAOYSA-N
Compound name
3,3-bis(4-hydroxy-3-methylphenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

7965
Patents

346.1205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12778 180.7
[M+Na]+ 369.10972 196.8
[M+NH4]+ 364.15432 190.3
[M+K]+ 385.08366 189.1
[M-H]- 345.11322 188.0
[M+Na-2H]- 367.09517 189.6
[M]+ 346.11995 185.4
[M]- 346.12105 185.4
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