CID 22292346

448193-94-0

Structural Information

Molecular Formula
C9H6Cl2O
SMILES
C1CC(=O)C2=C1C=C(C=C2Cl)Cl
InChI
InChI=1S/C9H6Cl2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
InChIKey
TWNXYJNWNZZECV-UHFFFAOYSA-N
Compound name
5,7-dichloro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

199.97957 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.986846 138.1
[M+Na]+ 222.968788 150.2
[M-H]- 198.972294 142.6
[M+NH4]+ 218.013393 162.0
[M+K]+ 238.942728 144.3
[M+H-H2O]+ 182.976830 135.0
[M+HCOO]- 244.977771 152.5
[M+CH3COO]- 258.993421 152.6
[M+Na-2H]- 220.954236 142.5
[M]+ 199.97902142 140.9
[M]- 199.98011858 140.9
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

patents stripe