CID 97221

15433-03-1

Structural Information

Molecular Formula
C18H16O2
SMILES
CC1=CC(=C(C(=C1)C)C2C(=O)C3=CC=CC=C3C2=O)C
InChI
InChI=1S/C18H16O2/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)18(16)20/h4-9,16H,1-3H3
InChIKey
YETKCQKJSSIDGC-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

264.11502 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 160.3
[M+Na]+ 287.10424 175.9
[M+NH4]+ 282.14884 169.7
[M+K]+ 303.07818 169.3
[M-H]- 263.10774 165.3
[M+Na-2H]- 285.08969 167.3
[M]+ 264.11447 164.1
[M]- 264.11557 164.1
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

patents stripe