CID 202148

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

11
References

5
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

literature stripe

Patent stripe

patents stripe