CID 5069586

2-chloro-2-(4-chlorophenyl)-1h-indene-1,3(2h)-dione

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 160.9
[M+Na]+ 312.97936 173.9
[M-H]- 288.98286 168.9
[M+NH4]+ 308.02396 183.0
[M+K]+ 328.95330 166.3
[M+H-H2O]+ 272.98740 156.2
[M+HCOO]- 334.98834 175.2
[M+CH3COO]- 349.00399 174.5
[M+Na-2H]- 310.96481 164.7
[M]+ 289.98959 165.2
[M]- 289.99069 165.2
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

No patent data available for this compound.