CID 6142478

105438-12-8

Structural Information

Molecular Formula
C18H12O3
SMILES
C1=CC=C(C=C1)/C=C/C2=C(C3=CC=CC=C3C(=O)C2=O)O
InChI
InChI=1S/C18H12O3/c19-16-13-8-4-5-9-14(13)17(20)18(21)15(16)11-10-12-6-2-1-3-7-12/h1-11,19H/b11-10+
InChIKey
LQAOWJZYBYJFQJ-ZHACJKMWSA-N
Compound name
4-hydroxy-3-[(E)-2-phenylethenyl]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08592 160.7
[M+Na]+ 299.06786 170.0
[M-H]- 275.07136 167.5
[M+NH4]+ 294.11246 177.3
[M+K]+ 315.04180 163.9
[M+H-H2O]+ 259.07590 153.2
[M+HCOO]- 321.07684 181.7
[M+CH3COO]- 335.09249 197.5
[M+Na-2H]- 297.05331 165.6
[M]+ 276.07809 160.3
[M]- 276.07919 160.3
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

No patent data available for this compound.