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
8
Annotation Hits

39
References

3636
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 153.8
[M+Na]+ 275.06786 163.9
[M-H]- 251.07136 162.4
[M+NH4]+ 270.11246 174.1
[M+K]+ 291.04180 159.8
[M+H-H2O]+ 235.07590 147.3
[M+HCOO]- 297.07684 177.7
[M+CH3COO]- 311.09249 195.0
[M+Na-2H]- 273.05331 157.6
[M]+ 252.07809 156.2
[M]- 252.07919 156.2
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

patents stripe