CID 20193391

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

Structural Information

Molecular Formula
C10H6ClNO3
SMILES
C1=CC2=NC=C(C(=C2C=C1Cl)C(=O)O)O
InChI
InChI=1S/C10H6ClNO3/c11-5-1-2-7-6(3-5)9(10(14)15)8(13)4-12-7/h1-4,13H,(H,14,15)
InChIKey
KDQCRVUJRDKQLC-UHFFFAOYSA-N
Compound name
6-chloro-3-hydroxyquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.00362 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.010896 140.8
[M+Na]+ 245.992838 151.8
[M-H]- 221.996344 142.2
[M+NH4]+ 241.037443 158.8
[M+K]+ 261.966778 146.9
[M+H-H2O]+ 206.000880 135.8
[M+HCOO]- 268.001821 155.9
[M+CH3COO]- 282.017471 182.9
[M+Na-2H]- 243.978286 147.3
[M]+ 223.00307142 143.0
[M]- 223.00416858 143.0
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