CID 29923482

5,7-dichloro-1,2-dihydroquinolin-2-one

Structural Information

Molecular Formula
C9H5Cl2NO
SMILES
C1=CC(=O)NC2=C1C(=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO/c10-5-3-7(11)6-1-2-9(13)12-8(6)4-5/h1-4H,(H,12,13)
InChIKey
POPQNDNLFIICBS-UHFFFAOYSA-N
Compound name
5,7-dichloro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

212.97482 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98210 136.3
[M+Na]+ 235.96404 148.9
[M-H]- 211.96754 138.2
[M+NH4]+ 231.00864 156.0
[M+K]+ 251.93798 142.1
[M+H-H2O]+ 195.97208 131.9
[M+HCOO]- 257.97302 148.6
[M+CH3COO]- 271.98867 149.9
[M+Na-2H]- 233.94949 144.0
[M]+ 212.97427 138.7
[M]- 212.97537 138.7
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

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