CID 74891124

1256819-38-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.03317 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.040446 129.5
[M+Na]+ 194.022388 139.2
[M-H]- 170.025894 129.9
[M+NH4]+ 189.066993 148.1
[M+K]+ 209.996328 137.7
[M+H-H2O]+ 154.030430 122.7
[M+HCOO]- 216.031371 150.8
[M+CH3COO]- 230.047021 176.3
[M+Na-2H]- 192.007836 135.2
[M]+ 171.03262142 129.9
[M]- 171.03371858 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

No patent data available for this compound.