CID 2736001

5,7-dichloro-4-hydroxyquinoline

Structural Information

Molecular Formula
C9H5Cl2NO
SMILES
C1=CNC2=C(C1=O)C(=CC(=C2)Cl)Cl
InChI
InChI=1S/C9H5Cl2NO/c10-5-3-6(11)9-7(4-5)12-2-1-8(9)13/h1-4H,(H,12,13)
InChIKey
GESHSYASHHORJB-UHFFFAOYSA-N
Compound name
5,7-dichloro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

212.97482 Da
Monoisotopic Mass

2.8
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

patents stripe