CID 2762505

2-chloro-3-hydroxyisonicotinic acid

Structural Information

Molecular Formula
C6H4ClNO3
SMILES
C1=CN=C(C(=C1C(=O)O)O)Cl
InChI
InChI=1S/C6H4ClNO3/c7-5-4(9)3(6(10)11)1-2-8-5/h1-2,9H,(H,10,11)
InChIKey
OCZTVFQQUDHTGW-UHFFFAOYSA-N
Compound name
2-chloro-3-hydroxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.98798 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.99526 129.2
[M+Na]+ 195.97720 142.3
[M+NH4]+ 191.02180 136.5
[M+K]+ 211.95114 137.7
[M-H]- 171.98070 129.0
[M+Na-2H]- 193.96265 135.0
[M]+ 172.98743 131.1
[M]- 172.98853 131.1
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