CID 3043663

1,3-indandione, 4-hydroxy-2-(2-naphthalenyl)-

Structural Information

Molecular Formula
C19H12O3
SMILES
C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=C(C3=O)C(=CC=C4)O
InChI
InChI=1S/C19H12O3/c20-15-7-3-6-14-17(15)19(22)16(18(14)21)13-9-8-11-4-1-2-5-12(11)10-13/h1-10,16,20H
InChIKey
MMHFCYWHLTYROV-UHFFFAOYSA-N
Compound name
4-hydroxy-2-naphthalen-2-ylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07864 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.085916 163.7
[M+Na]+ 311.067858 174.2
[M-H]- 287.071364 172.0
[M+NH4]+ 306.112463 182.7
[M+K]+ 327.041798 168.0
[M+H-H2O]+ 271.075900 156.9
[M+HCOO]- 333.076841 184.6
[M+CH3COO]- 347.092491 176.5
[M+Na-2H]- 309.053306 167.5
[M]+ 288.07809142 164.3
[M]- 288.07918858 164.3
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.