CID 2785049

3,3-dichloroquinoline-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C9H5Cl2NO2
SMILES
C1=CC=C2C(=C1)C(=O)C(C(=O)N2)(Cl)Cl
InChI
InChI=1S/C9H5Cl2NO2/c10-9(11)7(13)5-3-1-2-4-6(5)12-8(9)14/h1-4H,(H,12,14)
InChIKey
OVFKPOZIUBFQMK-UHFFFAOYSA-N
Compound name
3,3-dichloro-1H-quinoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.96973 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.97701 139.8
[M+Na]+ 251.95895 151.6
[M-H]- 227.96245 141.6
[M+NH4]+ 247.00355 160.5
[M+K]+ 267.93289 145.4
[M+H-H2O]+ 211.96699 136.1
[M+HCOO]- 273.96793 149.9
[M+CH3COO]- 287.98358 183.5
[M+Na-2H]- 249.94440 146.8
[M]+ 228.96918 140.3
[M]- 228.97028 140.3
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