CID 2197

Anisindione

Structural Information

Molecular Formula
C16H12O3
SMILES
COC1=CC=C(C=C1)C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChIKey
XRCFXMGQEVUZFC-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

39
References

3515
Patents

252.07864 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 155.1
[M+Na]+ 275.06786 169.9
[M+NH4]+ 270.11246 164.2
[M+K]+ 291.04180 163.8
[M-H]- 251.07136 159.5
[M+Na-2H]- 273.05331 162.5
[M]+ 252.07809 158.5
[M]- 252.07919 158.5
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

patents stripe