CID 3040916

2-(2,6-dichlorophenyl)-4-methyl-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C16H10Cl2O2
SMILES
CC1=C2C(=CC=C1)C(=O)C(C2=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H10Cl2O2/c1-8-4-2-5-9-12(8)16(20)14(15(9)19)13-10(17)6-3-7-11(13)18/h2-7,14H,1H3
InChIKey
DPVKPOBTYOHMLE-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-4-methylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

304.0058 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.013076 166.0
[M+Na]+ 326.995018 179.3
[M-H]- 302.998524 174.1
[M+NH4]+ 322.039623 186.1
[M+K]+ 342.968958 171.6
[M+H-H2O]+ 287.003060 161.2
[M+HCOO]- 349.004001 179.8
[M+CH3COO]- 363.019651 179.4
[M+Na-2H]- 324.980466 166.8
[M]+ 304.00525142 171.1
[M]- 304.00634858 171.1
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