CID 204177

1,3-indandione, 2-(2,5-dimethylphenyl)-

Structural Information

Molecular Formula
C17H14O2
SMILES
CC1=CC(=C(C=C1)C)C2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C17H14O2/c1-10-7-8-11(2)14(9-10)15-16(18)12-5-3-4-6-13(12)17(15)19/h3-9,15H,1-2H3
InChIKey
DJVVAHHXAXAZIW-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

250.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 154.7
[M+Na]+ 273.08860 165.5
[M-H]- 249.09210 163.5
[M+NH4]+ 268.13320 175.5
[M+K]+ 289.06254 160.5
[M+H-H2O]+ 233.09664 148.5
[M+HCOO]- 295.09758 178.0
[M+CH3COO]- 309.11323 197.1
[M+Na-2H]- 271.07405 157.2
[M]+ 250.09883 156.4
[M]- 250.09993 156.4
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

No patent data available for this compound.