CID 3043663

55916-17-1

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]+ 289.08592 163.7
[M+Na]+ 311.06786 174.2
[M-H]- 287.07136 172.0
[M+NH4]+ 306.11246 182.7
[M+K]+ 327.04180 168.0
[M+H-H2O]+ 271.07590 156.9
[M+HCOO]- 333.07684 184.6
[M+CH3COO]- 347.09249 176.5
[M+Na-2H]- 309.05331 167.5
[M]+ 288.07809 164.3
[M]- 288.07919 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.