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]+ 305.01308 163.0
[M+Na]+ 326.99502 180.2
[M+NH4]+ 322.03962 172.9
[M+K]+ 342.96896 172.4
[M-H]- 302.99852 167.8
[M+Na-2H]- 324.98047 170.4
[M]+ 304.00525 167.6
[M]- 304.00635 167.6
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