CID 3043682

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

Structural Information

Molecular Formula
C15H8Cl2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H8Cl2O2/c16-10-6-3-7-11(17)12(10)13-14(18)8-4-1-2-5-9(8)15(13)19/h1-7,13H
InChIKey
MOIHUCBXEPXBAI-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

289.99014 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99742 161.8
[M+Na]+ 312.97936 174.6
[M-H]- 288.98286 169.7
[M+NH4]+ 308.02396 182.1
[M+K]+ 328.95330 167.1
[M+H-H2O]+ 272.98740 156.9
[M+HCOO]- 334.98834 176.0
[M+CH3COO]- 349.00399 175.3
[M+Na-2H]- 310.96481 163.8
[M]+ 289.98959 166.2
[M]- 289.99069 166.2
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