CID 231110

15451-44-2

Structural Information

Molecular Formula
C23H16O3
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C(=O)C3=O)O
InChI
InChI=1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)23(26)20(21)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19,24H
InChIKey
QRBYHTLNCCRJAC-UHFFFAOYSA-N
Compound name
3-benzhydryl-4-hydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.10995 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11723 180.6
[M+Na]+ 363.09917 198.0
[M+NH4]+ 358.14377 189.5
[M+K]+ 379.07311 188.5
[M-H]- 339.10267 187.9
[M+Na-2H]- 361.08462 191.2
[M]+ 340.10940 185.4
[M]- 340.11050 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.