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

12
Patents

213.95883 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.966106 138.0
[M+Na]+ 236.948048 151.2
[M-H]- 212.951554 143.0
[M+NH4]+ 231.992653 163.2
[M+K]+ 252.921988 145.2
[M+H-H2O]+ 196.956090 135.5
[M+HCOO]- 258.957031 152.9
[M+CH3COO]- 272.972681 182.9
[M+Na-2H]- 234.933496 143.8
[M]+ 213.95828142 141.8
[M]- 213.95937858 141.8
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