CID 67212091

1415226-40-2

Structural Information

Molecular Formula
C12H8ClNO3
SMILES
C1=CC(=CC(=C1)Cl)C2=CC(=C(N=C2)C(=O)O)O
InChI
InChI=1S/C12H8ClNO3/c13-9-3-1-2-7(4-9)8-5-10(15)11(12(16)17)14-6-8/h1-6,15H,(H,16,17)
InChIKey
KMZAXKDGIXGPOF-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-3-hydroxypyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

249.01927 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02655 150.9
[M+Na]+ 272.00849 166.2
[M+NH4]+ 267.05309 158.5
[M+K]+ 287.98243 159.8
[M-H]- 248.01199 153.5
[M+Na-2H]- 269.99394 159.1
[M]+ 249.01872 154.1
[M]- 249.01982 154.1
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