CID 17039959

4-hydroxy-6,7-dichloroquinoline

Structural Information

Molecular Formula
C9H5Cl2NO
SMILES
C1=CNC2=CC(=C(C=C2C1=O)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO/c10-6-3-5-8(4-7(6)11)12-2-1-9(5)13/h1-4H,(H,12,13)
InChIKey
OIBDGJOVXZXMSP-UHFFFAOYSA-N
Compound name
6,7-dichloro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.97482 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.982096 136.3
[M+Na]+ 235.964038 148.9
[M-H]- 211.967544 138.2
[M+NH4]+ 231.008643 156.0
[M+K]+ 251.937978 142.1
[M+H-H2O]+ 195.972080 131.9
[M+HCOO]- 257.973021 148.6
[M+CH3COO]- 271.988671 149.9
[M+Na-2H]- 233.949486 144.0
[M]+ 212.97427142 138.7
[M]- 212.97536858 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

No literature data available for this compound.

Patent stripe

patents stripe