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]+ 224.01090 140.8
[M+Na]+ 245.99284 151.8
[M-H]- 221.99634 142.2
[M+NH4]+ 241.03744 158.8
[M+K]+ 261.96678 146.9
[M+H-H2O]+ 206.00088 135.8
[M+HCOO]- 268.00182 155.9
[M+CH3COO]- 282.01747 182.9
[M+Na-2H]- 243.97829 147.3
[M]+ 223.00307 143.0
[M]- 223.00417 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