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]+ 279.13796 162.6
[M+Na]+ 301.11990 174.3
[M-H]- 277.12340 171.9
[M+NH4]+ 296.16450 182.9
[M+K]+ 317.09384 169.0
[M+H-H2O]+ 261.12794 156.7
[M+HCOO]- 323.12888 185.2
[M+CH3COO]- 337.14453 205.6
[M+Na-2H]- 299.10535 162.8
[M]+ 278.13013 165.9
[M]- 278.13123 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