CID 254956

6-chloro-4-hydroxyquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC2=C(C=C1Cl)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C10H6ClNO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey
CDPXSMNKRFLXHU-UHFFFAOYSA-N
Compound name
6-chloro-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

101
Patents

223.00362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 141.4
[M+Na]+ 245.99284 156.2
[M+NH4]+ 241.03744 149.2
[M+K]+ 261.96678 150.1
[M-H]- 221.99634 142.1
[M+Na-2H]- 243.97829 147.4
[M]+ 223.00307 143.9
[M]- 223.00417 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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