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 166.0
[M+Na]+ 326.99502 179.3
[M-H]- 302.99852 174.1
[M+NH4]+ 322.03962 186.1
[M+K]+ 342.96896 171.6
[M+H-H2O]+ 287.00306 161.2
[M+HCOO]- 349.00400 179.8
[M+CH3COO]- 363.01965 179.4
[M+Na-2H]- 324.98047 166.8
[M]+ 304.00525 171.1
[M]- 304.00635 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