CID 2063546

2,2-dichloroindene-1,3-dione

Structural Information

Molecular Formula
C9H4Cl2O2
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(Cl)Cl
InChI
InChI=1S/C9H4Cl2O2/c10-9(11)7(12)5-3-1-2-4-6(5)8(9)13/h1-4H
InChIKey
YZFSRQKSNWFCSD-UHFFFAOYSA-N
Compound name
2,2-dichloroindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

213.95883 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.96611 136.2
[M+Na]+ 236.94805 151.0
[M+NH4]+ 231.99265 147.4
[M+K]+ 252.92199 143.2
[M-H]- 212.95155 138.2
[M+Na-2H]- 234.93350 143.7
[M]+ 213.95828 139.7
[M]- 213.95938 139.7
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

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