CID 2729042

4,5,6,7-tetrachloro-2,3-dihydro-1h-indene-1,3-dione

Structural Information

Molecular Formula
C9H2Cl4O2
SMILES
C1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1H2
InChIKey
IDLAOWFFKWRNHB-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrachloroindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

338
Patents

281.8809 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.88818 154.9
[M+Na]+ 304.87012 168.5
[M-H]- 280.87362 157.1
[M+NH4]+ 299.91472 175.1
[M+K]+ 320.84406 161.8
[M+H-H2O]+ 264.87816 153.3
[M+HCOO]- 326.87910 158.2
[M+CH3COO]- 340.89475 198.2
[M+Na-2H]- 302.85557 154.7
[M]+ 281.88035 158.3
[M]- 281.88145 158.3
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