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 138.1
[M+Na]+ 222.96879 150.2
[M-H]- 198.97229 142.6
[M+NH4]+ 218.01339 162.0
[M+K]+ 238.94273 144.3
[M+H-H2O]+ 182.97683 135.0
[M+HCOO]- 244.97777 152.5
[M+CH3COO]- 258.99342 152.6
[M+Na-2H]- 220.95424 142.5
[M]+ 199.97902 140.9
[M]- 199.98012 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