CID 151469

7561-62-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

4
References

319
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

patents stripe