CID 10487843

3-chloro-5-methoxyisonicotinic acid

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
COC1=CN=CC(=C1C(=O)O)Cl
InChI
InChI=1S/C7H6ClNO3/c1-12-5-3-9-2-4(8)6(5)7(10)11/h2-3H,1H3,(H,10,11)
InChIKey
PAUHOSGGUVTDAE-UHFFFAOYSA-N
Compound name
3-chloro-5-methoxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

187.00362 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 133.1
[M+Na]+ 209.99284 146.6
[M+NH4]+ 205.03744 140.7
[M+K]+ 225.96678 141.4
[M-H]- 185.99634 133.4
[M+Na-2H]- 207.97829 139.3
[M]+ 187.00307 135.3
[M]- 187.00417 135.3
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