CID 294415

15432-98-1

Structural Information

Molecular Formula
C16H12O2
SMILES
CC1=CC(=CC=C1)C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C16H12O2/c1-10-5-4-6-11(9-10)14-15(17)12-7-2-3-8-13(12)16(14)18/h2-9,14H,1H3
InChIKey
URZMQUXHNCUEEX-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

236.08372 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 150.5
[M+Na]+ 259.07294 160.9
[M-H]- 235.07644 159.1
[M+NH4]+ 254.11754 171.6
[M+K]+ 275.04688 156.1
[M+H-H2O]+ 219.08098 144.3
[M+HCOO]- 281.08192 174.3
[M+CH3COO]- 295.09757 164.7
[M+Na-2H]- 257.05839 154.2
[M]+ 236.08317 151.5
[M]- 236.08427 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.