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

233
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 158.7
[M+Na]+ 287.10424 170.0
[M-H]- 263.10774 167.7
[M+NH4]+ 282.14884 179.2
[M+K]+ 303.07818 164.8
[M+H-H2O]+ 247.11228 152.6
[M+HCOO]- 309.11322 181.7
[M+CH3COO]- 323.12887 201.4
[M+Na-2H]- 285.08969 160.1
[M]+ 264.11447 161.2
[M]- 264.11557 161.2
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