CID 72211896

1060806-69-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 129.5
[M+Na]+ 194.02239 139.2
[M-H]- 170.02589 129.9
[M+NH4]+ 189.06699 148.1
[M+K]+ 209.99633 137.7
[M+H-H2O]+ 154.03043 122.7
[M+HCOO]- 216.03137 150.8
[M+CH3COO]- 230.04702 176.3
[M+Na-2H]- 192.00784 135.2
[M]+ 171.03262 129.9
[M]- 171.03372 129.9
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