CID 670543

8-chloro-2-hydroxyquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC2=C(C(=C1)Cl)NC(=O)C=C2C(=O)O
InChI
InChI=1S/C10H6ClNO3/c11-7-3-1-2-5-6(10(14)15)4-8(13)12-9(5)7/h1-4H,(H,12,13)(H,14,15)
InChIKey
UFSAYZLIVFQSAD-UHFFFAOYSA-N
Compound name
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

223.00362 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.01090 140.1
[M+Na]+ 245.99284 151.4
[M-H]- 221.99634 141.6
[M+NH4]+ 241.03744 158.1
[M+K]+ 261.96678 145.8
[M+H-H2O]+ 206.00088 135.2
[M+HCOO]- 268.00182 155.4
[M+CH3COO]- 282.01747 182.2
[M+Na-2H]- 243.97829 146.6
[M]+ 223.00307 141.6
[M]- 223.00417 141.6
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