CID 201681

1,3-indandione, 2-(2,3,5,6-tetramethylphenyl)-

Structural Information

Molecular Formula
C19H18O2
SMILES
CC1=CC(=C(C(=C1C)C2C(=O)C3=CC=CC=C3C2=O)C)C
InChI
InChI=1S/C19H18O2/c1-10-9-11(2)13(4)16(12(10)3)17-18(20)14-7-5-6-8-15(14)19(17)21/h5-9,17H,1-4H3
InChIKey
SGBVKPAARRKINA-UHFFFAOYSA-N
Compound name
2-(2,3,5,6-tetramethylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13068 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.137956 162.6
[M+Na]+ 301.119898 174.3
[M-H]- 277.123404 171.9
[M+NH4]+ 296.164503 182.9
[M+K]+ 317.093838 169.0
[M+H-H2O]+ 261.127940 156.7
[M+HCOO]- 323.128881 185.2
[M+CH3COO]- 337.144531 205.6
[M+Na-2H]- 299.105346 162.8
[M]+ 278.13013142 165.9
[M]- 278.13122858 165.9
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