CID 12206518

52397-81-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
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

literature stripe

Patent stripe

patents stripe