CID 22903622

4,5-dichloro-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H6Cl2O
SMILES
C1CC(=O)C2=C1C(=C(C=C2)Cl)Cl
InChI
InChI=1S/C9H6Cl2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
InChIKey
KYWOFYRNDCXWHN-UHFFFAOYSA-N
Compound name
4,5-dichloro-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

199.97957 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.98685 134.5
[M+Na]+ 222.96879 149.6
[M+NH4]+ 218.01339 145.1
[M+K]+ 238.94273 142.9
[M-H]- 198.97229 137.2
[M+Na-2H]- 220.95424 141.0
[M]+ 199.97902 138.1
[M]- 199.98012 138.1
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