CID 44754853

5-fluoro-2-methoxyisonicotinic acid

Structural Information

Molecular Formula
C7H6FNO3
SMILES
COC1=NC=C(C(=C1)C(=O)O)F
InChI
InChI=1S/C7H6FNO3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,1H3,(H,10,11)
InChIKey
CKSDXJOTYUMLJF-UHFFFAOYSA-N
Compound name
5-fluoro-2-methoxypyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.03317 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04045 132.6
[M+Na]+ 194.02239 144.2
[M+NH4]+ 189.06699 139.0
[M+K]+ 209.99633 139.8
[M-H]- 170.02589 131.2
[M+Na-2H]- 192.00784 137.6
[M]+ 171.03262 133.5
[M]- 171.03372 133.5
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