CID 948572

2-(3-phenyl-acryloyl)-indan-1,3-dione

Structural Information

Molecular Formula
C18H12O3
SMILES
C1=CC=C(C=C1)C=CC(=O)C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C18H12O3/c19-15(11-10-12-6-2-1-3-7-12)16-17(20)13-8-4-5-9-14(13)18(16)21/h1-11,16H
InChIKey
YXFGAICZGGUTCL-UHFFFAOYSA-N
Compound name
2-(3-phenylprop-2-enoyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.07864 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08592 161.7
[M+Na]+ 299.06786 170.4
[M-H]- 275.07136 169.7
[M+NH4]+ 294.11246 180.5
[M+K]+ 315.04180 165.0
[M+H-H2O]+ 259.07590 154.9
[M+HCOO]- 321.07684 184.3
[M+CH3COO]- 335.09249 198.5
[M+Na-2H]- 297.05331 163.9
[M]+ 276.07809 162.2
[M]- 276.07919 162.2
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.