CID 162286

5-chloro-2-hydroxynicotinic acid

Structural Information

Molecular Formula
C6H4ClNO3
SMILES
C1=C(C(=O)NC=C1Cl)C(=O)O
InChI
InChI=1S/C6H4ClNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)
InChIKey
XBHXNMLFJZTSAS-UHFFFAOYSA-N
Compound name
5-chloro-2-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

276
Patents

172.98798 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99526 127.0
[M+Na]+ 195.97720 137.7
[M-H]- 171.98070 127.5
[M+NH4]+ 191.02180 145.7
[M+K]+ 211.95114 133.5
[M+H-H2O]+ 155.98524 122.6
[M+HCOO]- 217.98618 143.8
[M+CH3COO]- 232.00183 171.2
[M+Na-2H]- 193.96265 132.9
[M]+ 172.98743 127.6
[M]- 172.98853 127.6
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