CID 57345875

3-chloro-2-methoxyisonicotinic acid

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
COC1=NC=CC(=C1Cl)C(=O)O
InChI
InChI=1S/C7H6ClNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/h2-3H,1H3,(H,10,11)
InChIKey
GLKKQNFVOGCQFU-UHFFFAOYSA-N
Compound name
3-chloro-2-methoxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

187.00362 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.010896 131.6
[M+Na]+ 209.992838 142.0
[M-H]- 185.996344 133.3
[M+NH4]+ 205.037443 150.6
[M+K]+ 225.966778 139.2
[M+H-H2O]+ 170.000880 126.7
[M+HCOO]- 232.001821 149.4
[M+CH3COO]- 246.017471 177.5
[M+Na-2H]- 207.978286 137.6
[M]+ 187.00307142 135.2
[M]- 187.00416858 135.2
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