CID 622331

2-(4-ethoxyphenyl)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C17H14O3
SMILES
CCOC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O3/c1-2-20-12-9-7-11(8-10-12)15-16(18)13-5-3-4-6-14(13)17(15)19/h3-10,15H,2H2,1H3
InChIKey
OYBQKBPVEKHJTK-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 159.6
[M+Na]+ 289.08352 174.2
[M+NH4]+ 284.12812 168.6
[M+K]+ 305.05746 167.9
[M-H]- 265.08702 164.0
[M+Na-2H]- 287.06897 166.8
[M]+ 266.09375 163.0
[M]- 266.09485 163.0
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.